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

C13H14N2O — CID 62962113

IUPAC1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2ccc(N)cc2)c(=O)c1
InChIInChI=1S/C13H14N2O/c1-10-6-7-15(13(16)8-10)9-11-2-4-12(14)5-3-11/h2-8H,9,14H2,1H3
InChIKeyIGLPRHFRLAJIOR-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.79
Rot. Bonds2

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

1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one (PubChem CID 62962113) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one
PubChem CID62962113
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2ccc(N)cc2)c(=O)c1
InChIInChI=1S/C13H14N2O/c1-10-6-7-15(13(16)8-10)9-11-2-4-12(14)5-3-11/h2-8H,9,14H2,1H3
InChIKeyIGLPRHFRLAJIOR-UHFFFAOYSA-N
XLogP1.79
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.79
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]-4-methylpyridin-2-one?
The IUPAC name of 1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one (CID 62962113) is 1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one is Cc1ccn(Cc2ccc(N)cc2)c(=O)c1.
What is the InChIKey of 1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one?
The InChIKey is IGLPRHFRLAJIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-6-7-15(13(16)8-10)9-11-2-4-12(14)5-3-11/h2-8H,9,14H2,1H3.
What are the key properties of 1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one?
1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one has a molecular weight of 214.27 g/mol, XLogP of 1.79, 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]-4-methylpyridin-2-one is sourced from PubChem (CID 62962113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).