(4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone

C15H13NO — CID 66395209

IUPAC(4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
SMILESNc1ccc(C(=O)C2Cc3ccccc32)cc1
InChIInChI=1S/C15H13NO/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)14/h1-8,14H,9,16H2
InChIKeyAPNOAQFQIHGQCT-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.79
Rot. Bonds2

About (4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone

(4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone (PubChem CID 66395209) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is (4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
PubChem CID66395209
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name(4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
SMILESNc1ccc(C(=O)C2Cc3ccccc32)cc1
InChIInChI=1S/C15H13NO/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)14/h1-8,14H,9,16H2
InChIKeyAPNOAQFQIHGQCT-UHFFFAOYSA-N
XLogP2.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone 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-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone
CID 64986357
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-ethylphenyl)methanone
CID 64982409
(4-amino-3-methylphenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66395210
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone
CID 64982460
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone
CID 64982050
N-[2-(4-aminophenoxy)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66397239
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-yl)methanone
CID 64982163
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone
CID 66396102
(5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66394913
2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone
CID 65408196

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
The IUPAC name of (4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone (CID 66395209) is (4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone.
What is the SMILES notation for (4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
The canonical SMILES for (4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone is Nc1ccc(C(=O)C2Cc3ccccc32)cc1.
What is the InChIKey of (4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
The InChIKey is APNOAQFQIHGQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)14/h1-8,14H,9,16H2.
What are the key properties of (4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
(4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone has a molecular weight of 223.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone is sourced from PubChem (CID 66395209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).