4-(1-hydroxyheptyl)-1H-pyridin-2-one

C12H19NO2 — CID 160600911

IUPAC4-(1-hydroxyheptyl)-1H-pyridin-2-one
SMILESCCCCCCC(O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-6-11(14)10-7-8-13-12(15)9-10/h7-9,11,14H,2-6H2,1H3,(H,13,15)
InChIKeyREGKJZYNXOWFAE-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.38
Rot. Bonds6

About 4-(1-hydroxyheptyl)-1H-pyridin-2-one

4-(1-hydroxyheptyl)-1H-pyridin-2-one (PubChem CID 160600911) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(1-hydroxyheptyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1-hydroxyheptyl)-1H-pyridin-2-one
PubChem CID160600911
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-(1-hydroxyheptyl)-1H-pyridin-2-one
SMILESCCCCCCC(O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-6-11(14)10-7-8-13-12(15)9-10/h7-9,11,14H,2-6H2,1H3,(H,13,15)
InChIKeyREGKJZYNXOWFAE-UHFFFAOYSA-N
XLogP2.38
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.38
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

2-Hydroxy-5-(1-hydroxyhexyl)pyridine
CID 21280493
acetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one
CID 160600910
5-(1-hydroxyheptyl)-1H-pyridin-2-one
CID 160732859
4-hydroxy-N-methyldodec-2-enamide
CID 170984074
(4R)-4-hydroxy-N-methyldodec-2-enamide
CID 170984075
4-(hydroxymethyl)-5-(3-hydroxy-1-sulfanylbutyl)-1H-pyridin-2-one
CID 177734045
5-Pentyl-pyridine-2,4-diol
CID 97627165
5-(1-hydroxyethyl)-4-methyl-1H-pyridin-2-one
CID 102545709
5-(1-hydroxypropyl)-4-methyl-1H-pyridin-2-one
CID 102545710
5-(1-hydroxypropyl)-1H-pyridin-2-one
CID 102546855
5-[(1R)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one
CID 124502077
5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one
CID 124502078

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyheptyl)-1H-pyridin-2-one?
The IUPAC name of 4-(1-hydroxyheptyl)-1H-pyridin-2-one (CID 160600911) is 4-(1-hydroxyheptyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(1-hydroxyheptyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(1-hydroxyheptyl)-1H-pyridin-2-one is CCCCCCC(O)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-(1-hydroxyheptyl)-1H-pyridin-2-one?
The InChIKey is REGKJZYNXOWFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-3-4-5-6-11(14)10-7-8-13-12(15)9-10/h7-9,11,14H,2-6H2,1H3,(H,13,15).
What are the key properties of 4-(1-hydroxyheptyl)-1H-pyridin-2-one?
4-(1-hydroxyheptyl)-1H-pyridin-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyheptyl)-1H-pyridin-2-one is sourced from PubChem (CID 160600911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).