2-anilinoethenone

C8H7NO — CID 22073424

IUPAC2-anilinoethenone
SMILESO=C=CNc1ccccc1
InChIInChI=1S/C8H7NO/c10-7-6-9-8-4-2-1-3-5-8/h1-6,9H
InChIKeyAHDXJKPNCIFUCN-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.44
Rot. Bonds2

About 2-anilinoethenone

2-anilinoethenone (PubChem CID 22073424) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-anilinoethenone.

Molecular Properties

Compound Name2-anilinoethenone
PubChem CID22073424
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name2-anilinoethenone
SMILESO=C=CNc1ccccc1
InChIInChI=1S/C8H7NO/c10-7-6-9-8-4-2-1-3-5-8/h1-6,9H
InChIKeyAHDXJKPNCIFUCN-UHFFFAOYSA-N
XLogP1.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylpropa-1,2-dienyl)aniline
CID 176540019
cesium;hydride;N-phenylformamide
CID 173414611
lithium;hydride;N-phenylformamide
CID 174281873
N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline
CID 176544530
benzene;bis(N-prop-1-enylaniline)
CID 70363490
2-anilinoethenol
CID 154058037
N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
CID 75086588
isocyanic acid;N-methoxyaniline
CID 172774828
N-ethenylaniline;methanamine
CID 143723226
(Z)-3-anilinoprop-2-enamide
CID 143937122
(Z)-3-anilino-2-methylprop-2-enal
CID 19787661
(E)-2-anilinoethenesulfonyl fluoride;hydrochloride
CID 88507649

Frequently Asked Questions

What is the IUPAC name of 2-anilinoethenone?
The IUPAC name of 2-anilinoethenone (CID 22073424) is 2-anilinoethenone.
What is the SMILES notation for 2-anilinoethenone?
The canonical SMILES for 2-anilinoethenone is O=C=CNc1ccccc1.
What is the InChIKey of 2-anilinoethenone?
The InChIKey is AHDXJKPNCIFUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c10-7-6-9-8-4-2-1-3-5-8/h1-6,9H.
What are the key properties of 2-anilinoethenone?
2-anilinoethenone has a molecular weight of 133.15 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinoethenone is sourced from PubChem (CID 22073424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).