1-anilino-3-phenyliminopropan-2-one

C15H14N2O — CID 91514500

IUPAC1-anilino-3-phenyliminopropan-2-one
SMILESO=C(/C=N/c1ccccc1)CNc1ccccc1
InChIInChI=1S/C15H14N2O/c18-15(11-16-13-7-3-1-4-8-13)12-17-14-9-5-2-6-10-14/h1-11,17H,12H2/b16-11+
InChIKeyYNVFILDTNBYYQK-LFIBNONCSA-N
MW238.29 g/mol
LogP3.07
Rot. Bonds5

About 1-anilino-3-phenyliminopropan-2-one

1-anilino-3-phenyliminopropan-2-one (PubChem CID 91514500) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-anilino-3-phenyliminopropan-2-one.

Molecular Properties

Compound Name1-anilino-3-phenyliminopropan-2-one
PubChem CID91514500
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-anilino-3-phenyliminopropan-2-one
SMILESO=C(/C=N/c1ccccc1)CNc1ccccc1
InChIInChI=1S/C15H14N2O/c18-15(11-16-13-7-3-1-4-8-13)12-17-14-9-5-2-6-10-14/h1-11,17H,12H2/b16-11+
InChIKeyYNVFILDTNBYYQK-LFIBNONCSA-N
XLogP3.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
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potassium;sodium;2-anilinoacetic acid;hydride
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(Z)-5-anilino-4-(phenyliminomethyl)pent-4-enoic acid
CID 87428131
N-(2,3-dichloroprop-2-enyl)aniline
CID 79167902
(E)-5-anilino-4-methylpent-3-en-2-one
CID 143995368
(Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide
CID 135427204
N-[(E)-2,3-diphenylprop-2-enyl]aniline
CID 101023407
2-(1-anilino-3-phenyliminoprop-1-en-2-yl)sulfanylacetic acid;hydrobromide
CID 173012261
2-anilino-N-(3-methylbut-2-enyl)acetamide
CID 106186880

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-phenyliminopropan-2-one?
The IUPAC name of 1-anilino-3-phenyliminopropan-2-one (CID 91514500) is 1-anilino-3-phenyliminopropan-2-one.
What is the SMILES notation for 1-anilino-3-phenyliminopropan-2-one?
The canonical SMILES for 1-anilino-3-phenyliminopropan-2-one is O=C(/C=N/c1ccccc1)CNc1ccccc1.
What is the InChIKey of 1-anilino-3-phenyliminopropan-2-one?
The InChIKey is YNVFILDTNBYYQK-LFIBNONCSA-N. The full InChI is InChI=1S/C15H14N2O/c18-15(11-16-13-7-3-1-4-8-13)12-17-14-9-5-2-6-10-14/h1-11,17H,12H2/b16-11+.
What are the key properties of 1-anilino-3-phenyliminopropan-2-one?
1-anilino-3-phenyliminopropan-2-one has a molecular weight of 238.29 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-phenyliminopropan-2-one is sourced from PubChem (CID 91514500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).