8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene

C9H13NO — CID 162413633

IUPAC8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESCC1CC2CC1C1C=NOC21
InChIInChI=1S/C9H13NO/c1-5-2-6-3-7(5)8-4-10-11-9(6)8/h4-9H,2-3H2,1H3
InChIKeyCHDFPCAIIVKTJN-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.66
Rot. Bonds

About 8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene

8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene (PubChem CID 162413633) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene.

Molecular Properties

Compound Name8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
PubChem CID162413633
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESCC1CC2CC1C1C=NOC21
InChIInChI=1S/C9H13NO/c1-5-2-6-3-7(5)8-4-10-11-9(6)8/h4-9H,2-3H2,1H3
InChIKeyCHDFPCAIIVKTJN-UHFFFAOYSA-N
XLogP1.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-methyl-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 8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The IUPAC name of 8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene (CID 162413633) is 8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene.
What is the SMILES notation for 8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The canonical SMILES for 8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene is CC1CC2CC1C1C=NOC21.
What is the InChIKey of 8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The InChIKey is CHDFPCAIIVKTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-5-2-6-3-7(5)8-4-10-11-9(6)8/h4-9H,2-3H2,1H3.
What are the key properties of 8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene has a molecular weight of 151.21 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene is sourced from PubChem (CID 162413633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).