7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one

C8H13NO2 — CID 22744561

IUPAC7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
SMILESCN1CC2COCC(C1)C2=O
InChIInChI=1S/C8H13NO2/c1-9-2-6-4-11-5-7(3-9)8(6)10/h6-7H,2-5H2,1H3
InChIKeyKSFOSVUYFVVWLK-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.24
Rot. Bonds

About 7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one

7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one (PubChem CID 22744561) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
PubChem CID22744561
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
SMILESCN1CC2COCC(C1)C2=O
InChIInChI=1S/C8H13NO2/c1-9-2-6-4-11-5-7(3-9)8(6)10/h6-7H,2-5H2,1H3
InChIKeyKSFOSVUYFVVWLK-UHFFFAOYSA-N
XLogP-0.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-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-3-oxa-7-azabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one (CID 22744561) is 7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one is CN1CC2COCC(C1)C2=O.
What is the InChIKey of 7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one?
The InChIKey is KSFOSVUYFVVWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-2-6-4-11-5-7(3-9)8(6)10/h6-7H,2-5H2,1H3.
What are the key properties of 7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one?
7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one has a molecular weight of 155.20 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 22744561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).