N-[(3E)-7-methyl-1H,2H,4H-cyclopenta[b]indol-3-ylidene]hydroxylamine|(E)-7-methyl-1,2-dihydrocyclopenta[b]indol-3(4H)-one oxime|N-[(3E)-7-methyl-1H,2H,3H,4H-cyclopenta[b]indol-3-ylidene]hydroxylamine

General Information

Structure

Molecular Formula

C₁₂H₁₂N₂O

Molecular Mass

200.23648

Exact Mass

200.09496301

Charge

InChI

InChI=1S/C12H12N2O/c1-7-2-4-10-9(6-7)8-3-5-11(14-15)12(8)13-10/h2,4,6,13,15H,3,5H2,1H3/b14-11+

InChIKey

FQBSVYUVIDQJLF-SDNWHVSQSA-N

Canonic Smiles

O/N=C/1\CCc2c1[nH]c1c2cc(cc1)C

Isomeric Smiles

c12c(c3c([nH]1)ccc(c3)C)CC/C/2=N\O

Calculated Properties

JChem

Acid pKa

12.601366

H Acceptors

H Donor

LogD (pH = 5.5)

2.377539

LogD (pH = 7.4)

2.3782089

Log P

2.3782203

Molar Refractivity

59.5526

Polarizability

23.443153

Polar Surface Area

48.38

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

N-[(3E)-7-methyl-1H,2H,4H-cyclopenta[b]indol-3-ylidene]hydroxylamine

Synonyms

(E)-7-methyl-1,2-dihydrocyclopenta[b]indol-3(4H)-one oxime

IUPAC name

N-[(3E)-7-methyl-1H,2H,3H,4H-cyclopenta[b]indol-3-ylidene]hydroxylamine

Names and Identifiers

Registration numbers

PubChem SID

162219056

PubChem CID

23826672

Registration numbers

Properties

Product Information

Classification

Derivatives & analogs of Natural Compounds

Description

Isomers

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

Molecule

ID:124703