6-(3-methoxypropyl)-1H-pyridin-2-one

C9H13NO2 — CID 69301670

IUPAC6-(3-methoxypropyl)-1H-pyridin-2-one
SMILESCOCCCC1=CC=CC(=O)N1
InChIInChI=1S/C9H13NO2/c1-12-7-3-5-8-4-2-6-9(11)10-8/h2,4,6H,3,5,7H2,1H3,(H,10,11)
InChIKeySDFKYFSOSTXEMT-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.70
Rot. Bonds4

About 6-(3-methoxypropyl)-1H-pyridin-2-one

6-(3-methoxypropyl)-1H-pyridin-2-one (PubChem CID 69301670) has the molecular formula C9H13NO2 and a molecular weight of 167.20 g/mol. Its IUPAC name is 6-(3-methoxypropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3-methoxypropyl)-1H-pyridin-2-one
PubChem CID69301670
Molecular FormulaC9H13NO2
Molecular Weight167.20 g/mol
Exact Mass167.09
IUPAC Name6-(3-methoxypropyl)-1H-pyridin-2-one
SMILESCOCCCC1=CC=CC(=O)N1
InChIInChI=1S/C9H13NO2/c1-12-7-3-5-8-4-2-6-9(11)10-8/h2,4,6H,3,5,7H2,1H3,(H,10,11)
InChIKeySDFKYFSOSTXEMT-UHFFFAOYSA-N
XLogP0.70
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity219

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Butylpyridin-2-ol
CID 23352100
6-but-3-enyl-1H-pyridin-2-one
CID 131886452
6-(3-hydroxypropyl)-1H-pyridin-2-one
CID 134854501
6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyridin-2-one
CID 134971089
6-(3,3-Diethoxypropyl)-2(1H)-pyridinone
CID 584306
6-butan-2-yl-1H-pyridin-2-one
CID 14763254
N-(4-methoxycyclohexa-1,3-dien-1-yl)acetamide
CID 19382573
6-pentyl-1H-pyridin-2-one
CID 19435815
2-Hydroxy-6-(n-propyl)pyridine
CID 23352096
6-Isobutylpyridin-2-ol
CID 58170135
6-ethyl-1H-pyridin-2-one;methane
CID 70058402
6-(2-oxopropyl)-1H-pyridin-2-one
CID 70272402

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3-methoxypropyl)-1H-pyridin-2-one (CID 69301670) is 6-(3-methoxypropyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3-methoxypropyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3-methoxypropyl)-1H-pyridin-2-one is COCCCC1=CC=CC(=O)N1.
What is the InChIKey of 6-(3-methoxypropyl)-1H-pyridin-2-one?
The InChIKey is SDFKYFSOSTXEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-12-7-3-5-8-4-2-6-9(11)10-8/h2,4,6H,3,5,7H2,1H3,(H,10,11).
What are the key properties of 6-(3-methoxypropyl)-1H-pyridin-2-one?
6-(3-methoxypropyl)-1H-pyridin-2-one has a molecular weight of 167.20 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropyl)-1H-pyridin-2-one is sourced from PubChem (CID 69301670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).