9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one

C16H19NO2 — CID 134791897

IUPAC9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCc1ccc(C(=O)N2C3CCCC2CC(=O)C3)cc1
InChIInChI=1S/C16H19NO2/c1-11-5-7-12(8-6-11)16(19)17-13-3-2-4-14(17)10-15(18)9-13/h5-8,13-14H,2-4,9-10H2,1H3
InChIKeyWKODZVFYQCHYAO-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.72
Rot. Bonds1

About 9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one

9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 134791897) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID134791897
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCc1ccc(C(=O)N2C3CCCC2CC(=O)C3)cc1
InChIInChI=1S/C16H19NO2/c1-11-5-7-12(8-6-11)16(19)17-13-3-2-4-14(17)10-15(18)9-13/h5-8,13-14H,2-4,9-10H2,1H3
InChIKeyWKODZVFYQCHYAO-UHFFFAOYSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one
CID 102442004
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931
tert-butyl (1S,5S)-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 86811260
N-cyclobutyl-4-methylbenzamide
CID 23530676
ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one
CID 159223821
[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 175967606
3-methyl-1-(4-methylbenzoyl)azepan-2-one
CID 155131408
(7aS)-2-[1-(4-methylbenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 122138661
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
(1R,5S)-8-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzoyl]-8-azabicyclo[3.2.1]octan-3-one
CID 144814612
9-[2-(4-methoxyphenyl)acetyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 134792842

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 134791897) is 9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one is Cc1ccc(C(=O)N2C3CCCC2CC(=O)C3)cc1.
What is the InChIKey of 9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is WKODZVFYQCHYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-5-7-12(8-6-11)16(19)17-13-3-2-4-14(17)10-15(18)9-13/h5-8,13-14H,2-4,9-10H2,1H3.
What are the key properties of 9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 257.33 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 134791897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).