3-acetyl-4-pentyl-1H-pyridin-2-one

C12H17NO2 — CID 154981968

IUPAC3-acetyl-4-pentyl-1H-pyridin-2-one
SMILESCCCCCc1cc[nH]c(=O)c1C(C)=O
InChIInChI=1S/C12H17NO2/c1-3-4-5-6-10-7-8-13-12(15)11(10)9(2)14/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyJYZAQAAPBLJJMS-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.31
Rot. Bonds5

About 3-acetyl-4-pentyl-1H-pyridin-2-one

3-acetyl-4-pentyl-1H-pyridin-2-one (PubChem CID 154981968) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-acetyl-4-pentyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-4-pentyl-1H-pyridin-2-one
PubChem CID154981968
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-acetyl-4-pentyl-1H-pyridin-2-one
SMILESCCCCCc1cc[nH]c(=O)c1C(C)=O
InChIInChI=1S/C12H17NO2/c1-3-4-5-6-10-7-8-13-12(15)11(10)9(2)14/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyJYZAQAAPBLJJMS-UHFFFAOYSA-N
XLogP2.31
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.31
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

3-hydroxy-4-octadecyl-1H-pyridin-2-one
CID 151285880
acetic acid;copper;3-pentyl-1H-pyrrol-2-ol
CID 171476601
3-nonyl-1H-pyridin-2-one
CID 91411158
3-docosyl-1H-pyrrole-2-carbaldehyde
CID 163030493
3-icosyl-1H-pyrrole-2-carbaldehyde
CID 162936507
3-hexyl-1H-pyrrol-2-ol
CID 140967880
2,3-dihexadecyl-1H-pyrrole
CID 175695832
2-methyl-3-pentadecyl-1H-pyrrole
CID 173176418
2-methyl-3-tetracosyl-1H-pyrrole
CID 173176335
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-acetyl-4-pentyl-1H-pyridin-2-one?
The IUPAC name of 3-acetyl-4-pentyl-1H-pyridin-2-one (CID 154981968) is 3-acetyl-4-pentyl-1H-pyridin-2-one.
What is the SMILES notation for 3-acetyl-4-pentyl-1H-pyridin-2-one?
The canonical SMILES for 3-acetyl-4-pentyl-1H-pyridin-2-one is CCCCCc1cc[nH]c(=O)c1C(C)=O.
What is the InChIKey of 3-acetyl-4-pentyl-1H-pyridin-2-one?
The InChIKey is JYZAQAAPBLJJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-4-5-6-10-7-8-13-12(15)11(10)9(2)14/h7-8H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 3-acetyl-4-pentyl-1H-pyridin-2-one?
3-acetyl-4-pentyl-1H-pyridin-2-one has a molecular weight of 207.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-pentyl-1H-pyridin-2-one is sourced from PubChem (CID 154981968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).