5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene

C8H10ClNO — CID 101483015

IUPAC5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESClC1=NOC2C3CCC(C3)C12
InChIInChI=1S/C8H10ClNO/c9-8-6-4-1-2-5(3-4)7(6)11-10-8/h4-7H,1-3H2
InChIKeyNQLXTMHGYQMLTR-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.98
Rot. Bonds

About 5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene

5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene (PubChem CID 101483015) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene.

Molecular Properties

Compound Name5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
PubChem CID101483015
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESClC1=NOC2C3CCC(C3)C12
InChIInChI=1S/C8H10ClNO/c9-8-6-4-1-2-5(3-4)7(6)11-10-8/h4-7H,1-3H2
InChIKeyNQLXTMHGYQMLTR-UHFFFAOYSA-N
XLogP1.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene 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-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The IUPAC name of 5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene (CID 101483015) is 5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene.
What is the SMILES notation for 5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The canonical SMILES for 5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene is ClC1=NOC2C3CCC(C3)C12.
What is the InChIKey of 5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The InChIKey is NQLXTMHGYQMLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c9-8-6-4-1-2-5(3-4)7(6)11-10-8/h4-7H,1-3H2.
What are the key properties of 5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene has a molecular weight of 171.63 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene is sourced from PubChem (CID 101483015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).