9-methyl-9-azabicyclo[3.3.1]non-2-ene

C9H15N — CID 134896609

IUPAC9-methyl-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=CCC1CCC2
InChIInChI=1S/C9H15N/c1-10-8-4-2-5-9(10)7-3-6-8/h2,4,8-9H,3,5-7H2,1H3
InChIKeyFDWBIFZMRBMHRL-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.80
Rot. Bonds

About 9-methyl-9-azabicyclo[3.3.1]non-2-ene

9-methyl-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 134896609) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 9-methyl-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name9-methyl-9-azabicyclo[3.3.1]non-2-ene
PubChem CID134896609
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name9-methyl-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=CCC1CCC2
InChIInChI=1S/C9H15N/c1-10-8-4-2-5-9(10)7-3-6-8/h2,4,8-9H,3,5-7H2,1H3
InChIKeyFDWBIFZMRBMHRL-UHFFFAOYSA-N
XLogP1.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9-methyl-9-azabicyclo[3.3.1]non-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 9-methyl-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 9-methyl-9-azabicyclo[3.3.1]non-2-ene (CID 134896609) is 9-methyl-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 9-methyl-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 9-methyl-9-azabicyclo[3.3.1]non-2-ene is CN1C2C=CCC1CCC2.
What is the InChIKey of 9-methyl-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is FDWBIFZMRBMHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-10-8-4-2-5-9(10)7-3-6-8/h2,4,8-9H,3,5-7H2,1H3.
What are the key properties of 9-methyl-9-azabicyclo[3.3.1]non-2-ene?
9-methyl-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 137.23 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 134896609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).