2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one

C17H13NO2 — CID 6479062

IUPAC2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one
SMILESNc1ccc(/C=C/c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C17H13NO2/c18-13-8-5-12(6-9-13)7-10-14-11-16(19)15-3-1-2-4-17(15)20-14/h1-11H,18H2/b10-7+
InChIKeyTZQNAJVBYQHHMJ-JXMROGBWSA-N
MW263.30 g/mol
LogP3.55
Rot. Bonds2

About 2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one

2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one (PubChem CID 6479062) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one.

Molecular Properties

Compound Name2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one
PubChem CID6479062
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one
SMILESNc1ccc(/C=C/c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C17H13NO2/c18-13-8-5-12(6-9-13)7-10-14-11-16(19)15-3-1-2-4-17(15)20-14/h1-11H,18H2/b10-7+
InChIKeyTZQNAJVBYQHHMJ-JXMROGBWSA-N
XLogP3.55
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-(4-aminophenyl)ethenyl]chromen-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

Related Compounds

2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one
CID 4713
3(2H)-Benzofuranone, 2-((4-(dimethylamino)phenyl)methylene)-
CID 5900716
3-(3-aminophenyl)-2H-chromen-2-one
CID 720985
2-(4-Nitrophenyl)-4H-chromen-4-one
CID 622510
3-(4-aminophenyl)-2H-chromen-2-one
CID 310860
6-Amino-3-phenyl-2H-chromen-2-one
CID 617017
6-Nitro-2-(3-nitrophenyl)-4H-1-benzopyran-4-one
CID 127714
2-(3-Nitrophenyl)-4h-chromen-4-one
CID 252248
2-[4-(Dimethylamino)phenyl]-4h-Chromen-4-One
CID 1241435
6-Iodo-4'-dimethyaminoflavone
CID 11574659
6-Iodo-4'-methylaminoflavone
CID 11632242
6-Nitro-2-phenylchromen-4-one
CID 15731470

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one?
The IUPAC name of 2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one (CID 6479062) is 2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one.
What is the SMILES notation for 2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one?
The canonical SMILES for 2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one is Nc1ccc(/C=C/c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one?
The InChIKey is TZQNAJVBYQHHMJ-JXMROGBWSA-N. The full InChI is InChI=1S/C17H13NO2/c18-13-8-5-12(6-9-13)7-10-14-11-16(19)15-3-1-2-4-17(15)20-14/h1-11H,18H2/b10-7+.
What are the key properties of 2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one?
2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one has a molecular weight of 263.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one is sourced from PubChem (CID 6479062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).