5-methyl-1-azabicyclo[2.2.2]oct-2-ene

C8H13N — CID 58732543

IUPAC5-methyl-1-azabicyclo[2.2.2]oct-2-ene
SMILESCC1CN2C=CC1CC2
InChIInChI=1S/C8H13N/c1-7-6-9-4-2-8(7)3-5-9/h2,4,7-8H,3,5-6H2,1H3
InChIKeyGEFRMCMNSYRQPH-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.47
Rot. Bonds

About 5-methyl-1-azabicyclo[2.2.2]oct-2-ene

5-methyl-1-azabicyclo[2.2.2]oct-2-ene (PubChem CID 58732543) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-methyl-1-azabicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name5-methyl-1-azabicyclo[2.2.2]oct-2-ene
PubChem CID58732543
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-methyl-1-azabicyclo[2.2.2]oct-2-ene
SMILESCC1CN2C=CC1CC2
InChIInChI=1S/C8H13N/c1-7-6-9-4-2-8(7)3-5-9/h2,4,7-8H,3,5-6H2,1H3
InChIKeyGEFRMCMNSYRQPH-UHFFFAOYSA-N
XLogP1.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methyl-1-azabicyclo[2.2.2]oct-2-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-methyl-1-azabicyclo[2.2.2]oct-2-ene?
The IUPAC name of 5-methyl-1-azabicyclo[2.2.2]oct-2-ene (CID 58732543) is 5-methyl-1-azabicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 5-methyl-1-azabicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 5-methyl-1-azabicyclo[2.2.2]oct-2-ene is CC1CN2C=CC1CC2.
What is the InChIKey of 5-methyl-1-azabicyclo[2.2.2]oct-2-ene?
The InChIKey is GEFRMCMNSYRQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-6-9-4-2-8(7)3-5-9/h2,4,7-8H,3,5-6H2,1H3.
What are the key properties of 5-methyl-1-azabicyclo[2.2.2]oct-2-ene?
5-methyl-1-azabicyclo[2.2.2]oct-2-ene has a molecular weight of 123.20 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-azabicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 58732543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).