(1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one

C9H13NO — CID 89349685

IUPAC(1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one
SMILESO=C1N[C@H]2CC/C=C\CC[C@@H]12
InChIInChI=1S/C9H13NO/c11-9-7-5-3-1-2-4-6-8(7)10-9/h1-2,7-8H,3-6H2,(H,10,11)/b2-1-/t7-,8+/m1/s1
InChIKeyLGFGPHLZVAEHME-DREYKADXSA-N
MW151.21 g/mol
LogP1.23
Rot. Bonds

About (1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one

(1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one (PubChem CID 89349685) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one.

Molecular Properties

Compound Name(1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one
PubChem CID89349685
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one
SMILESO=C1N[C@H]2CC/C=C\CC[C@@H]12
InChIInChI=1S/C9H13NO/c11-9-7-5-3-1-2-4-6-8(7)10-9/h1-2,7-8H,3-6H2,(H,10,11)/b2-1-/t7-,8+/m1/s1
InChIKeyLGFGPHLZVAEHME-DREYKADXSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-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 (1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one?
The IUPAC name of (1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one (CID 89349685) is (1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one.
What is the SMILES notation for (1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one?
The canonical SMILES for (1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one is O=C1N[C@H]2CC/C=C\CC[C@@H]12.
What is the InChIKey of (1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one?
The InChIKey is LGFGPHLZVAEHME-DREYKADXSA-N. The full InChI is InChI=1S/C9H13NO/c11-9-7-5-3-1-2-4-6-8(7)10-9/h1-2,7-8H,3-6H2,(H,10,11)/b2-1-/t7-,8+/m1/s1.
What are the key properties of (1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one?
(1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one has a molecular weight of 151.21 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4Z,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one is sourced from PubChem (CID 89349685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).