4-methyl-1-octylpyridin-2-one

C14H23NO — CID 116622543

IUPAC4-methyl-1-octylpyridin-2-one
SMILESCCCCCCCCn1ccc(C)cc1=O
InChIInChI=1S/C14H23NO/c1-3-4-5-6-7-8-10-15-11-9-13(2)12-14(15)16/h9,11-12H,3-8,10H2,1-2H3
InChIKeyPMNQPXVIDGLIKT-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.52
Rot. Bonds7

About 4-methyl-1-octylpyridin-2-one

4-methyl-1-octylpyridin-2-one (PubChem CID 116622543) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-methyl-1-octylpyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-octylpyridin-2-one
PubChem CID116622543
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-methyl-1-octylpyridin-2-one
SMILESCCCCCCCCn1ccc(C)cc1=O
InChIInChI=1S/C14H23NO/c1-3-4-5-6-7-8-10-15-11-9-13(2)12-14(15)16/h9,11-12H,3-8,10H2,1-2H3
InChIKeyPMNQPXVIDGLIKT-UHFFFAOYSA-N
XLogP3.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[3-(propylamino)propyl]pyridin-2-one
CID 62961956
4-methyl-1-[4-(methylamino)butyl]pyridin-2-one
CID 62988015
1-hexyl-2-oxopyridine-4-carboxylic acid
CID 82901807
4-methyl-1-[3-(methylamino)propyl]pyridin-2-one
CID 62961955
methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate
CID 62960871
4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one
CID 106731659
N,N-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
CID 116622594
1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one
CID 62988187
4-methyl-1-[2-(methylamino)ethyl]pyridin-2-one
CID 62962145
1-decyl-6-methylindole
CID 116546893
1-decyl-3-hydroxy-2-methylpyridin-4-one
CID 14956309
3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione
CID 132970535

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-octylpyridin-2-one?
The IUPAC name of 4-methyl-1-octylpyridin-2-one (CID 116622543) is 4-methyl-1-octylpyridin-2-one.
What is the SMILES notation for 4-methyl-1-octylpyridin-2-one?
The canonical SMILES for 4-methyl-1-octylpyridin-2-one is CCCCCCCCn1ccc(C)cc1=O.
What is the InChIKey of 4-methyl-1-octylpyridin-2-one?
The InChIKey is PMNQPXVIDGLIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-5-6-7-8-10-15-11-9-13(2)12-14(15)16/h9,11-12H,3-8,10H2,1-2H3.
What are the key properties of 4-methyl-1-octylpyridin-2-one?
4-methyl-1-octylpyridin-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-octylpyridin-2-one is sourced from PubChem (CID 116622543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).