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Molecule
ID:70907
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₄H₇NO₂
Molecular Mass
101.10388
Exact Mass
101.04767847
Charge
0
InChI
InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m1/s1
InChIKey
IOGISYQVOGVIEU-GSVOUGTGSA-N
Canonic Smiles
O[C@@H]1CC(=O)NC1
Isomeric Smiles
N1C(=O)C[C@H](C1)O
Calculated Properties
JChem
Acid pKa
14.054872
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.4986055
LogD (pH = 7.4)
-1.4986055
Log P
-1.4986055
Molar Refractivity
23.4654
Polarizability
9.2818985
Polar Surface Area
49.33
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
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Commercial Catalog
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Academic Data
Names and Identifiers
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Synonyms
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IUPAC name
•
IUPAC Traditional name
Registration numbers
Properties
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Product Information
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Safety Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
•
TRC
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Matrix Scientific
076481
Sigma Aldrich
479160
56439
TRC
H953070
Bide Pharmatech
BD2341
Academic Data
PubChem
185505
Names and Identifiers
Synonyms
(R)-4-Hydroxy-2-pyrrolidone
(R)-(+)-4-羟基-2-吡咯烷酮
(R)-(+)-4-Hydroxy-2-pyrrolidinone
(R)-β-羟基-γ-丁内酰胺
(R)-β-Hydroxy-γ-butyrolactam
(R)-4-Hydroxy-2-pyrrolidone
(R)-4-羟基-2-吡咯酮
(R)-(+)-β-羟基-γ-丁内酰胺
(R)-(+)-β-Hydroxy-γ-butyrolactam
(R)-4-hydroxy-2-pyrrolidinone
(4R)-4-Hydroxypyrrolidin-2-one
(4R)-4-Hydroxy-2-pyrrolidinone
(R)-4-Hydroxypyrrolidin-2-one
(R)-(+)-4-Hydroxy-2-pyrrolidinone
(R)-(+)-4-Hydroxy-2-pyrrolidinone
IUPAC name
(4R)-4-hydroxypyrrolidin-2-one
IUPAC Traditional name
(4R)-4-hydroxypyrrolidin-2-one
Registration numbers
MDL Number
MFCD00273364
CAS Number
22677-21-0
Beilstein Number
1524193
PubChem SID
24871603
162036615
PubChem CID
185505
Molecule Details
Sigma Aldrich
479160
Packaging
1, 5 g in glass bottle
56439
Other Notes
Chiral buidling block formpreparing GABOB1
TRC
H953070
The (R)-enantiomer intermediate in the preparation of Oxiracetam
References
PubChem Literature
From Data Sources
•
Kondepudi, D., et al.: Science, 250 975 (1990), Di Silvestro, G., et al.: J. Pharm. Sci., 82, 758 (1993),
Bioactivity
PubChem BioAssay
Registration numbers
•
MDL Number
•
CAS Number
•
Beilstein Number
•
PubChem SID
•
PubChem CID
Properties
Product Information
Purity
95+%
Source
97%
Source
≥97.0% (sum of enantiomers, GC)
Source
Empirical Formula (Hill Notation)
C4H7NO2
Source
Grade
purum
Source
Certificate of Analysis
Download link
Source
Safety Information
MSDS Link
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Storage Warning
IRRITANT
Source
false
Source
Warning
Source
dust mask type N95 (US), Eyeshields, Gloves
Source
P261
-
P305+P351+P338
Source
Irritant (Xi)
26
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
H315
-
H319
-
H335
Source
3
Source
36/37/38
Source
Physical Property
Optical Rotation
[α]23/D +43°, c = 1 in ethanol
Source
[α]20/D +41±3°, c = 1% in ethanol
Source
Melting Point
156-159 °C(lit.)
Source
156-160 °C
Source
Source
Source
TSCA Listed
GHS Signal Word
Personal Protective Equipment
GHS Precautionary statements
European Hazard Symbols
Safety Statements
GHS Pictograms
GHS Hazard statements
German water hazard class
Risk Statements