1-[(4-aminophenyl)methyl]pyridin-2-one

C12H12N2O — CID 16776194

IUPAC1-[(4-aminophenyl)methyl]pyridin-2-one
SMILESNc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C12H12N2O/c13-11-6-4-10(5-7-11)9-14-8-2-1-3-12(14)15/h1-8H,9,13H2
InChIKeyQBPISWMTLKTKMK-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.48
Rot. Bonds2

About 1-[(4-aminophenyl)methyl]pyridin-2-one

1-[(4-aminophenyl)methyl]pyridin-2-one (PubChem CID 16776194) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[(4-aminophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-aminophenyl)methyl]pyridin-2-one
PubChem CID16776194
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-[(4-aminophenyl)methyl]pyridin-2-one
SMILESNc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C12H12N2O/c13-11-6-4-10(5-7-11)9-14-8-2-1-3-12(14)15/h1-8H,9,13H2
InChIKeyQBPISWMTLKTKMK-UHFFFAOYSA-N
XLogP1.48
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminophenyl)methyl]pyridin-2-one?
The IUPAC name of 1-[(4-aminophenyl)methyl]pyridin-2-one (CID 16776194) is 1-[(4-aminophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-aminophenyl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(4-aminophenyl)methyl]pyridin-2-one is Nc1ccc(Cn2ccccc2=O)cc1.
What is the InChIKey of 1-[(4-aminophenyl)methyl]pyridin-2-one?
The InChIKey is QBPISWMTLKTKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-11-6-4-10(5-7-11)9-14-8-2-1-3-12(14)15/h1-8H,9,13H2.
What are the key properties of 1-[(4-aminophenyl)methyl]pyridin-2-one?
1-[(4-aminophenyl)methyl]pyridin-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 16776194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).