(1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one

C7H9NO — CID 134988543

IUPAC(1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one
SMILESC[C@@]12C=NC[C@@H]1CC2=O
InChIInChI=1S/C7H9NO/c1-7-4-8-3-5(7)2-6(7)9/h4-5H,2-3H2,1H3/t5-,7+/m0/s1
InChIKeyPNLHZSIMXVQJKQ-CAHLUQPWSA-N
MW123.15 g/mol
LogP0.67
Rot. Bonds

About (1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one

(1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one (PubChem CID 134988543) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one.

Molecular Properties

Compound Name(1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one
PubChem CID134988543
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one
SMILESC[C@@]12C=NC[C@@H]1CC2=O
InChIInChI=1S/C7H9NO/c1-7-4-8-3-5(7)2-6(7)9/h4-5H,2-3H2,1H3/t5-,7+/m0/s1
InChIKeyPNLHZSIMXVQJKQ-CAHLUQPWSA-N
XLogP0.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one
CID 131021996
(1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one
CID 134922029
3-tert-butyl-3,4-dihydro-2H-pyridin-5-one
CID 58468605
2,2-Dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one
CID 13600657

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one?
The IUPAC name of (1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one (CID 134988543) is (1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one.
What is the SMILES notation for (1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one?
The canonical SMILES for (1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one is C[C@@]12C=NC[C@@H]1CC2=O.
What is the InChIKey of (1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one?
The InChIKey is PNLHZSIMXVQJKQ-CAHLUQPWSA-N. The full InChI is InChI=1S/C7H9NO/c1-7-4-8-3-5(7)2-6(7)9/h4-5H,2-3H2,1H3/t5-,7+/m0/s1.
What are the key properties of (1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one?
(1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one has a molecular weight of 123.15 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one is sourced from PubChem (CID 134988543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).