5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane

C8H12ClNO — CID 130652529

IUPAC5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESC=C(Cl)CN1CCOC2CC21
InChIInChI=1S/C8H12ClNO/c1-6(9)5-10-2-3-11-8-4-7(8)10/h7-8H,1-5H2
InChIKeyVCRAMWPYOATBQH-UHFFFAOYSA-N
MW173.64 g/mol
LogP1.21
Rot. Bonds2

About 5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane

5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane (PubChem CID 130652529) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane
PubChem CID130652529
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESC=C(Cl)CN1CCOC2CC21
InChIInChI=1S/C8H12ClNO/c1-6(9)5-10-2-3-11-8-4-7(8)10/h7-8H,1-5H2
InChIKeyVCRAMWPYOATBQH-UHFFFAOYSA-N
XLogP1.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane 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 5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
The IUPAC name of 5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane (CID 130652529) is 5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
The canonical SMILES for 5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane is C=C(Cl)CN1CCOC2CC21.
What is the InChIKey of 5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
The InChIKey is VCRAMWPYOATBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO/c1-6(9)5-10-2-3-11-8-4-7(8)10/h7-8H,1-5H2.
What are the key properties of 5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane has a molecular weight of 173.64 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 130652529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).