(1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one

C9H13NO — CID 11298062

IUPAC(1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one
SMILESC=CCN1[C@@H]2C(=O)CCC[C@@H]21
InChIInChI=1S/C9H13NO/c1-2-6-10-7-4-3-5-8(11)9(7)10/h2,7,9H,1,3-6H2/t7-,9-,10?/m0/s1
InChIKeyQLYUQKREBHIHSX-OKKRDJTBSA-N
MW151.21 g/mol
LogP0.98
Rot. Bonds2

About (1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one

(1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one (PubChem CID 11298062) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one.

Molecular Properties

Compound Name(1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one
PubChem CID11298062
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one
SMILESC=CCN1[C@@H]2C(=O)CCC[C@@H]21
InChIInChI=1S/C9H13NO/c1-2-6-10-7-4-3-5-8(11)9(7)10/h2,7,9H,1,3-6H2/t7-,9-,10?/m0/s1
InChIKeyQLYUQKREBHIHSX-OKKRDJTBSA-N
XLogP0.98
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one?
The IUPAC name of (1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one (CID 11298062) is (1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one.
What is the SMILES notation for (1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one?
The canonical SMILES for (1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one is C=CCN1[C@@H]2C(=O)CCC[C@@H]21.
What is the InChIKey of (1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one?
The InChIKey is QLYUQKREBHIHSX-OKKRDJTBSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-6-10-7-4-3-5-8(11)9(7)10/h2,7,9H,1,3-6H2/t7-,9-,10?/m0/s1.
What are the key properties of (1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one?
(1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one has a molecular weight of 151.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-7-prop-2-enyl-7-azabicyclo[4.1.0]heptan-2-one is sourced from PubChem (CID 11298062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).