1,4-dimethyl-3-propylpyridin-2-one

C10H15NO — CID 177030296

IUPAC1,4-dimethyl-3-propylpyridin-2-one
SMILESCCCc1c(C)ccn(C)c1=O
InChIInChI=1S/C10H15NO/c1-4-5-9-8(2)6-7-11(3)10(9)12/h6-7H,4-5H2,1-3H3
InChIKeyPYJNDIRWCONCJT-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.65
Rot. Bonds2

About 1,4-dimethyl-3-propylpyridin-2-one

1,4-dimethyl-3-propylpyridin-2-one (PubChem CID 177030296) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,4-dimethyl-3-propylpyridin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3-propylpyridin-2-one
PubChem CID177030296
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1,4-dimethyl-3-propylpyridin-2-one
SMILESCCCc1c(C)ccn(C)c1=O
InChIInChI=1S/C10H15NO/c1-4-5-9-8(2)6-7-11(3)10(9)12/h6-7H,4-5H2,1-3H3
InChIKeyPYJNDIRWCONCJT-UHFFFAOYSA-N
XLogP1.65
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dimethyl-3-octanoylpyridin-2-one
CID 150407905
3-ethyl-4-methoxy-1-methylpyridin-2-one
CID 167006179
3-(2-aminoethylsulfanyl)-1,4-dimethylpyridin-2-one
CID 146330304
1,3-dimethylpyridin-2-one;ethane
CID 91539152
1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one
CID 145026710
7-amino-2,5-dimethylisoquinolin-1-one
CID 156819887
2,5,6-trimethylisoquinolin-1-one
CID 155037395
5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 134446028
ethane;3-methyl-1-propylpyridin-2-one
CID 177013538
4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 82111413
1,3-dimethyl-2-propylbenzene;prop-1-yne
CID 143326143
2,4-dimethyl-3-propylpyridine
CID 14197863

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-propylpyridin-2-one?
The IUPAC name of 1,4-dimethyl-3-propylpyridin-2-one (CID 177030296) is 1,4-dimethyl-3-propylpyridin-2-one.
What is the SMILES notation for 1,4-dimethyl-3-propylpyridin-2-one?
The canonical SMILES for 1,4-dimethyl-3-propylpyridin-2-one is CCCc1c(C)ccn(C)c1=O.
What is the InChIKey of 1,4-dimethyl-3-propylpyridin-2-one?
The InChIKey is PYJNDIRWCONCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-5-9-8(2)6-7-11(3)10(9)12/h6-7H,4-5H2,1-3H3.
What are the key properties of 1,4-dimethyl-3-propylpyridin-2-one?
1,4-dimethyl-3-propylpyridin-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-propylpyridin-2-one is sourced from PubChem (CID 177030296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).