7-methyl-7-azabicyclo[4.2.1]nonan-4-one

C9H15NO — CID 126606280

IUPAC7-methyl-7-azabicyclo[4.2.1]nonan-4-one
SMILESCN1CC2CCC(=O)CC1C2
InChIInChI=1S/C9H15NO/c1-10-6-7-2-3-9(11)5-8(10)4-7/h7-8H,2-6H2,1H3
InChIKeyLRNIXMVZNFFWMG-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.06
Rot. Bonds

About 7-methyl-7-azabicyclo[4.2.1]nonan-4-one

7-methyl-7-azabicyclo[4.2.1]nonan-4-one (PubChem CID 126606280) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 7-methyl-7-azabicyclo[4.2.1]nonan-4-one.

Molecular Properties

Compound Name7-methyl-7-azabicyclo[4.2.1]nonan-4-one
PubChem CID126606280
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name7-methyl-7-azabicyclo[4.2.1]nonan-4-one
SMILESCN1CC2CCC(=O)CC1C2
InChIInChI=1S/C9H15NO/c1-10-6-7-2-3-9(11)5-8(10)4-7/h7-8H,2-6H2,1H3
InChIKeyLRNIXMVZNFFWMG-UHFFFAOYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methyl-7-azabicyclo[4.2.1]nonan-4-one 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 7-methyl-7-azabicyclo[4.2.1]nonan-4-one?
The IUPAC name of 7-methyl-7-azabicyclo[4.2.1]nonan-4-one (CID 126606280) is 7-methyl-7-azabicyclo[4.2.1]nonan-4-one.
What is the SMILES notation for 7-methyl-7-azabicyclo[4.2.1]nonan-4-one?
The canonical SMILES for 7-methyl-7-azabicyclo[4.2.1]nonan-4-one is CN1CC2CCC(=O)CC1C2.
What is the InChIKey of 7-methyl-7-azabicyclo[4.2.1]nonan-4-one?
The InChIKey is LRNIXMVZNFFWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-6-7-2-3-9(11)5-8(10)4-7/h7-8H,2-6H2,1H3.
What are the key properties of 7-methyl-7-azabicyclo[4.2.1]nonan-4-one?
7-methyl-7-azabicyclo[4.2.1]nonan-4-one has a molecular weight of 153.23 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-azabicyclo[4.2.1]nonan-4-one is sourced from PubChem (CID 126606280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).