3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one

C18H17NO2 — CID 14157539

IUPAC3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one
SMILESCN1C=C(c2ccccc2)C(c2ccccc2)C(O)C1=O
InChIInChI=1S/C18H17NO2/c1-19-12-15(13-8-4-2-5-9-13)16(17(20)18(19)21)14-10-6-3-7-11-14/h2-12,16-17,20H,1H3
InChIKeyINMHUVDZWKKAOF-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.64
Rot. Bonds2

About 3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one

3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one (PubChem CID 14157539) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one
PubChem CID14157539
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one
SMILESCN1C=C(c2ccccc2)C(c2ccccc2)C(O)C1=O
InChIInChI=1S/C18H17NO2/c1-19-12-15(13-8-4-2-5-9-13)16(17(20)18(19)21)14-10-6-3-7-11-14/h2-12,16-17,20H,1H3
InChIKeyINMHUVDZWKKAOF-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one?
The IUPAC name of 3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one (CID 14157539) is 3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one is CN1C=C(c2ccccc2)C(c2ccccc2)C(O)C1=O.
What is the InChIKey of 3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one?
The InChIKey is INMHUVDZWKKAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19-12-15(13-8-4-2-5-9-13)16(17(20)18(19)21)14-10-6-3-7-11-14/h2-12,16-17,20H,1H3.
What are the key properties of 3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one?
3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 14157539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).