1-[5-(3-aminophenyl)furan-2-yl]ethanone

C12H11NO2 — CID 165461195

IUPAC1-[5-(3-aminophenyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(N)c2)o1
InChIInChI=1S/C12H11NO2/c1-8(14)11-5-6-12(15-11)9-3-2-4-10(13)7-9/h2-7H,13H2,1H3
InChIKeyFZEQYBHFRQNNSR-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.73
Rot. Bonds2

About 1-[5-(3-aminophenyl)furan-2-yl]ethanone

1-[5-(3-aminophenyl)furan-2-yl]ethanone (PubChem CID 165461195) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[5-(3-aminophenyl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-aminophenyl)furan-2-yl]ethanone
PubChem CID165461195
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-[5-(3-aminophenyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(N)c2)o1
InChIInChI=1S/C12H11NO2/c1-8(14)11-5-6-12(15-11)9-3-2-4-10(13)7-9/h2-7H,13H2,1H3
InChIKeyFZEQYBHFRQNNSR-UHFFFAOYSA-N
XLogP2.73
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminophenyl)-N-ethyl-N-phenylfuran-2-carboxamide
CID 91679621
[5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 91679692
[5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 91679685
1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone
CID 2805836
1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone
CID 62500345
1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone
CID 65437595
1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone
CID 62500513
5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide
CID 20815050
1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone
CID 107622692
dimethyl 5-(5-acetylfuran-2-yl)benzene-1,3-dicarboxylate
CID 960529
5-(3-methylphenyl)furan-2-carboxylate
CID 6957364
benzene-1,3-diamine;furan-2,5-dicarboxylic acid
CID 175422690

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-aminophenyl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(3-aminophenyl)furan-2-yl]ethanone (CID 165461195) is 1-[5-(3-aminophenyl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3-aminophenyl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(3-aminophenyl)furan-2-yl]ethanone is CC(=O)c1ccc(-c2cccc(N)c2)o1.
What is the InChIKey of 1-[5-(3-aminophenyl)furan-2-yl]ethanone?
The InChIKey is FZEQYBHFRQNNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8(14)11-5-6-12(15-11)9-3-2-4-10(13)7-9/h2-7H,13H2,1H3.
What are the key properties of 1-[5-(3-aminophenyl)furan-2-yl]ethanone?
1-[5-(3-aminophenyl)furan-2-yl]ethanone has a molecular weight of 201.22 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-aminophenyl)furan-2-yl]ethanone is sourced from PubChem (CID 165461195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).