CAS 160687-46-7|3-amino-1-(pyrrolidin-1-yl)propan-1-one|3-amino-1-(pyrrolidin-1-yl)propan-1-one|3-oxo-3-(1-pyrrolidinyl)-1-propanamine|3-amino-1-(pyrrolidin-1-yl)propan-1-one|3-oxo-3-pyrrolidin-1-yl...

General Information

Structure

Molecular Formula

C₇H₁₄N₂O

Molecular Mass

142.19886

Exact Mass

142.11061308

Charge

InChI

InChI=1S/C7H14N2O/c8-4-3-7(10)9-5-1-2-6-9/h1-6,8H2

InChIKey

SIOMCRORFPUYKB-UHFFFAOYSA-N

Canonic Smiles

NCCC(=O)N1CCCC1

Isomeric Smiles

C(=O)(N1CCCC1)CCN

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-3.7983074

LogD (pH = 7.4)

-2.57557

Log P

-0.86425585

Molar Refractivity

39.8594

Polarizability

15.631624

Polar Surface Area

46.33

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

3-amino-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

3-amino-1-(pyrrolidin-1-yl)propan-1-one

Synonyms

3-oxo-3-(1-pyrrolidinyl)-1-propanamine3-amino-1-(pyrrolidin-1-yl)propan-1-one3-oxo-3-pyrrolidin-1-ylpropan-1-amine

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Physical Property

Hydrophobicity(logP)

-0.6

Product Information

Purity

95%

Properties

Related Proteins

No Data Available

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• IUPAC name

• Synonyms

Registration numbers

• MDL Number

• CAS Number

• PubChem SID

• PubChem CID

Properties

• Physical Property

• Product Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:123849