3-hydroxy-4-octadecyl-1H-pyridin-2-one

C23H41NO2 — CID 151285880

IUPAC3-hydroxy-4-octadecyl-1H-pyridin-2-one
SMILESCCCCCCCCCCCCCCCCCCc1cc[nH]c(=O)c1O
InChIInChI=1S/C23H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-24-23(26)22(21)25/h19-20,25H,2-18H2,1H3,(H,24,26)
InChIKeyNZJJQPDCMNPDFV-UHFFFAOYSA-N
MW363.59 g/mol
LogP6.88
Rot. Bonds17

About 3-hydroxy-4-octadecyl-1H-pyridin-2-one

3-hydroxy-4-octadecyl-1H-pyridin-2-one (PubChem CID 151285880) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is 3-hydroxy-4-octadecyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-4-octadecyl-1H-pyridin-2-one
PubChem CID151285880
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC Name3-hydroxy-4-octadecyl-1H-pyridin-2-one
SMILESCCCCCCCCCCCCCCCCCCc1cc[nH]c(=O)c1O
InChIInChI=1S/C23H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-24-23(26)22(21)25/h19-20,25H,2-18H2,1H3,(H,24,26)
InChIKeyNZJJQPDCMNPDFV-UHFFFAOYSA-N
XLogP6.88
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-docosyl-1H-pyrrole-2-carbaldehyde
CID 163030493
3-icosyl-1H-pyrrole-2-carbaldehyde
CID 162936507
3-hexyl-1H-pyrrol-2-ol
CID 140967880
3-acetyl-4-pentyl-1H-pyridin-2-one
CID 154981968
3-nonyl-1H-pyridin-2-one
CID 91411158
2,3-dihexadecyl-1H-pyrrole
CID 175695832
2-methyl-3-pentadecyl-1H-pyrrole
CID 173176418
2-methyl-3-tetracosyl-1H-pyrrole
CID 173176335
acetic acid;copper;3-pentyl-1H-pyrrol-2-ol
CID 171476601
3-dodecyl-2-ethyl-1H-pyrrole
CID 155659713
2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide
CID 174987757
copper;3-pentyl-1H-pyrrol-2-ol;sulfate
CID 171476600

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-octadecyl-1H-pyridin-2-one?
The IUPAC name of 3-hydroxy-4-octadecyl-1H-pyridin-2-one (CID 151285880) is 3-hydroxy-4-octadecyl-1H-pyridin-2-one.
What is the SMILES notation for 3-hydroxy-4-octadecyl-1H-pyridin-2-one?
The canonical SMILES for 3-hydroxy-4-octadecyl-1H-pyridin-2-one is CCCCCCCCCCCCCCCCCCc1cc[nH]c(=O)c1O.
What is the InChIKey of 3-hydroxy-4-octadecyl-1H-pyridin-2-one?
The InChIKey is NZJJQPDCMNPDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-24-23(26)22(21)25/h19-20,25H,2-18H2,1H3,(H,24,26).
What are the key properties of 3-hydroxy-4-octadecyl-1H-pyridin-2-one?
3-hydroxy-4-octadecyl-1H-pyridin-2-one has a molecular weight of 363.59 g/mol, XLogP of 6.88, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-octadecyl-1H-pyridin-2-one is sourced from PubChem (CID 151285880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).