2-azabicyclo[4.1.0]heptan-4-one;hydrochloride

C6H10ClNO — CID 117045393

IUPAC2-azabicyclo[4.1.0]heptan-4-one;hydrochloride
SMILESCl.O=C1CNC2CC2C1
InChIInChI=1S/C6H9NO.ClH/c8-5-1-4-2-6(4)7-3-5;/h4,6-7H,1-3H2;1H
InChIKeyXXNLHCAIJBUSCY-UHFFFAOYSA-N
MW147.60 g/mol
LogP0.36
Rot. Bonds

About 2-azabicyclo[4.1.0]heptan-4-one;hydrochloride

2-azabicyclo[4.1.0]heptan-4-one;hydrochloride (PubChem CID 117045393) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 2-azabicyclo[4.1.0]heptan-4-one;hydrochloride.

Molecular Properties

Compound Name2-azabicyclo[4.1.0]heptan-4-one;hydrochloride
PubChem CID117045393
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name2-azabicyclo[4.1.0]heptan-4-one;hydrochloride
SMILESCl.O=C1CNC2CC2C1
InChIInChI=1S/C6H9NO.ClH/c8-5-1-4-2-6(4)7-3-5;/h4,6-7H,1-3H2;1H
InChIKeyXXNLHCAIJBUSCY-UHFFFAOYSA-N
XLogP0.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-azabicyclo[4.1.0]heptan-4-one;hydrochloride 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 2-azabicyclo[4.1.0]heptan-4-one;hydrochloride?
The IUPAC name of 2-azabicyclo[4.1.0]heptan-4-one;hydrochloride (CID 117045393) is 2-azabicyclo[4.1.0]heptan-4-one;hydrochloride.
What is the SMILES notation for 2-azabicyclo[4.1.0]heptan-4-one;hydrochloride?
The canonical SMILES for 2-azabicyclo[4.1.0]heptan-4-one;hydrochloride is Cl.O=C1CNC2CC2C1.
What is the InChIKey of 2-azabicyclo[4.1.0]heptan-4-one;hydrochloride?
The InChIKey is XXNLHCAIJBUSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.ClH/c8-5-1-4-2-6(4)7-3-5;/h4,6-7H,1-3H2;1H.
What are the key properties of 2-azabicyclo[4.1.0]heptan-4-one;hydrochloride?
2-azabicyclo[4.1.0]heptan-4-one;hydrochloride has a molecular weight of 147.60 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[4.1.0]heptan-4-one;hydrochloride is sourced from PubChem (CID 117045393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).