1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C11H8ClNO2 — CID 12719809

IUPAC1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1NC(=O)C2(c3ccccc3Cl)CC12
InChIInChI=1S/C11H8ClNO2/c12-8-4-2-1-3-6(8)11-5-7(11)9(14)13-10(11)15/h1-4,7H,5H2,(H,13,14,15)
InChIKeyLDVFXNXUSDLUGJ-UHFFFAOYSA-N
MW221.64 g/mol
LogP1.25
Rot. Bonds1

About 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 12719809) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID12719809
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1NC(=O)C2(c3ccccc3Cl)CC12
InChIInChI=1S/C11H8ClNO2/c12-8-4-2-1-3-6(8)11-5-7(11)9(14)13-10(11)15/h1-4,7H,5H2,(H,13,14,15)
InChIKeyLDVFXNXUSDLUGJ-UHFFFAOYSA-N
XLogP1.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione 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 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 12719809) is 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1NC(=O)C2(c3ccccc3Cl)CC12.
What is the InChIKey of 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is LDVFXNXUSDLUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c12-8-4-2-1-3-6(8)11-5-7(11)9(14)13-10(11)15/h1-4,7H,5H2,(H,13,14,15).
What are the key properties of 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 221.64 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 12719809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).