7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one

C14H15NO2 — CID 102442004

IUPAC7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one
SMILESCc1ccc(C(=O)N2C3CCC2C(=O)C3)cc1
InChIInChI=1S/C14H15NO2/c1-9-2-4-10(5-3-9)14(17)15-11-6-7-12(15)13(16)8-11/h2-5,11-12H,6-8H2,1H3
InChIKeyPTBULSQUCLRYHM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.94
Rot. Bonds1

About 7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one

7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one (PubChem CID 102442004) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one
PubChem CID102442004
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one
SMILESCc1ccc(C(=O)N2C3CCC2C(=O)C3)cc1
InChIInChI=1S/C14H15NO2/c1-9-2-4-10(5-3-9)14(17)15-11-6-7-12(15)13(16)8-11/h2-5,11-12H,6-8H2,1H3
InChIKeyPTBULSQUCLRYHM-UHFFFAOYSA-N
XLogP1.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-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

1-(4-Methylbenzoyl)pyrrolidine
CID 721203
1-benzoyl-2-benzyl-1,2-dihydropyridin-3(6H)-one
CID 16037828
1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione
CID 10882999
(S)-(1-Benzoylpyrrolidin-2-yl)(pyrrolidin-1-yl)methanone
CID 25775505
4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 9550436
N-benzyl-N-methyl-2-oxo-2-phenylacetamide
CID 15890511
(S)-1-((S)-1-benzoylpyrrolidine-2-carbonyl)-N-((S)-1-phenylethyl)pyrrolidine-2-carboxamide
CID 50944106
(2S)-N-benzyl-1-[(2S)-1-(2,6-difluorobenzoyl)pyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 50985877
Pyrrolidinyl 4-(pyrrolidinylcarbonyl)phenyl ketone
CID 591168
1-Benzoyl-2-methylpiperidin-4-one
CID 2838156
1-[(2S)-1-[3-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]ethanone
CID 44360084
1-[4-Fluoro-1-(4-methylbenzoyl)pyrrolidine-2-carbonyl]piperidine
CID 110876008

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one (CID 102442004) is 7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one is Cc1ccc(C(=O)N2C3CCC2C(=O)C3)cc1.
What is the InChIKey of 7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one?
The InChIKey is PTBULSQUCLRYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-2-4-10(5-3-9)14(17)15-11-6-7-12(15)13(16)8-11/h2-5,11-12H,6-8H2,1H3.
What are the key properties of 7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one?
7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 102442004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).