3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one

C17H21NO2 — CID 82521098

IUPAC3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
SMILESCCCCCn1c(-c2ccccc2)ccc(CO)c1=O
InChIInChI=1S/C17H21NO2/c1-2-3-7-12-18-16(14-8-5-4-6-9-14)11-10-15(13-19)17(18)20/h4-6,8-11,19H,2-3,7,12-13H2,1H3
InChIKeyCJNJDZBZCKPVRA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.20
Rot. Bonds6

About 3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one

3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one (PubChem CID 82521098) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
PubChem CID82521098
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
SMILESCCCCCn1c(-c2ccccc2)ccc(CO)c1=O
InChIInChI=1S/C17H21NO2/c1-2-3-7-12-18-16(14-8-5-4-6-9-14)11-10-15(13-19)17(18)20/h4-6,8-11,19H,2-3,7,12-13H2,1H3
InChIKeyCJNJDZBZCKPVRA-UHFFFAOYSA-N
XLogP3.20
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one
CID 82520519
1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one
CID 82521163
3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one
CID 82516662
1-butyl-3-(hydroxymethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517056
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82519305
3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one
CID 82520754
2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid
CID 82521071
2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile
CID 82520751
3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one
CID 82518457
6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one
CID 82521254
1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82520240
2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid
CID 82520595

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one?
The IUPAC name of 3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one (CID 82521098) is 3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one is CCCCCn1c(-c2ccccc2)ccc(CO)c1=O.
What is the InChIKey of 3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one?
The InChIKey is CJNJDZBZCKPVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-3-7-12-18-16(14-8-5-4-6-9-14)11-10-15(13-19)17(18)20/h4-6,8-11,19H,2-3,7,12-13H2,1H3.
What are the key properties of 3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one?
3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one is sourced from PubChem (CID 82521098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).