5-(1-hydroxyheptyl)-1H-pyridin-2-one

C12H19NO2 — CID 160732859

IUPAC5-(1-hydroxyheptyl)-1H-pyridin-2-one
SMILESCCCCCCC(O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-6-11(14)10-7-8-12(15)13-9-10/h7-9,11,14H,2-6H2,1H3,(H,13,15)
InChIKeyFWDITKNPIPUROY-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.38
Rot. Bonds6

About 5-(1-hydroxyheptyl)-1H-pyridin-2-one

5-(1-hydroxyheptyl)-1H-pyridin-2-one (PubChem CID 160732859) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(1-hydroxyheptyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-hydroxyheptyl)-1H-pyridin-2-one
PubChem CID160732859
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-(1-hydroxyheptyl)-1H-pyridin-2-one
SMILESCCCCCCC(O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-6-11(14)10-7-8-12(15)13-9-10/h7-9,11,14H,2-6H2,1H3,(H,13,15)
InChIKeyFWDITKNPIPUROY-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

(2E,4E,14Z)-6-hydroxy-N-isobutyl-icosa-2,4,14-trienamide
CID 86573562
5-(1-Hydroxyethyl)-2(1H)-pyridinone
CID 18955889
7-[(E)-6-hydroxyhept-1-enyl]-2H-isoquinolin-3-one
CID 19352590
2-Hydroxy-5-(1-hydroxyhexyl)pyridine
CID 21280493
7-(6-hydroxyhept-1-enyl)-2H-isoquinolin-3-one
CID 54339447
5-(3-hydroxypropyl)-4-methyl-1H-pyridin-2-one
CID 152016134
acetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one
CID 160600910
4-(1-hydroxyheptyl)-1H-pyridin-2-one
CID 160600911
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

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyheptyl)-1H-pyridin-2-one?
The IUPAC name of 5-(1-hydroxyheptyl)-1H-pyridin-2-one (CID 160732859) is 5-(1-hydroxyheptyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-hydroxyheptyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1-hydroxyheptyl)-1H-pyridin-2-one is CCCCCCC(O)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-(1-hydroxyheptyl)-1H-pyridin-2-one?
The InChIKey is FWDITKNPIPUROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-3-4-5-6-11(14)10-7-8-12(15)13-9-10/h7-9,11,14H,2-6H2,1H3,(H,13,15).
What are the key properties of 5-(1-hydroxyheptyl)-1H-pyridin-2-one?
5-(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 5-(1-hydroxyheptyl)-1H-pyridin-2-one is sourced from PubChem (CID 160732859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).