1-butyl-3,5-dimethylpyridin-2-one

C11H17NO — CID 13169253

IUPAC1-butyl-3,5-dimethylpyridin-2-one
SMILESCCCCn1cc(C)cc(C)c1=O
InChIInChI=1S/C11H17NO/c1-4-5-6-12-8-9(2)7-10(3)11(12)13/h7-8H,4-6H2,1-3H3
InChIKeyOIUGDUSKRYOJEZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.27
Rot. Bonds3

About 1-butyl-3,5-dimethylpyridin-2-one

1-butyl-3,5-dimethylpyridin-2-one (PubChem CID 13169253) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-butyl-3,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-butyl-3,5-dimethylpyridin-2-one
PubChem CID13169253
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-butyl-3,5-dimethylpyridin-2-one
SMILESCCCCn1cc(C)cc(C)c1=O
InChIInChI=1S/C11H17NO/c1-4-5-6-12-8-9(2)7-10(3)11(12)13/h7-8H,4-6H2,1-3H3
InChIKeyOIUGDUSKRYOJEZ-UHFFFAOYSA-N
XLogP2.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide
CID 131751449
2,4,6,8-Decatetraenoic acid dehydropiperidide
CID 131751450
(2E,4E,6E)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6-trien-1-one
CID 14427403
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxo-2,4,6-decatrienyl)-, (E,E,Z)-
CID 14427404
(2E,4E)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4-dien-1-one
CID 14427406
(2E,4E,8Z)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,8-trien-1-one
CID 14427408
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxo-2,4,6-decatrienyl)-, (E,E,Z)-(9CI)
CID 72731314
1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4-dien-1-one
CID 72731315
1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,8-trien-1-one
CID 72731316
1-(3,4-Dihydro-1(2H)-pyridinyl)-2,4,6,8-decatetraen-1-one
CID 163012805
"N,N-diethyl-2-[[(1-ethyl-6-oxo-1,6-dihydro-3-pyridinyl)methyl](methyl)amino]acetamide"
CID 53191752
2-methyl-6,7-dihydro-5H-indolizin-3-one
CID 122397881

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,5-dimethylpyridin-2-one?
The IUPAC name of 1-butyl-3,5-dimethylpyridin-2-one (CID 13169253) is 1-butyl-3,5-dimethylpyridin-2-one.
What is the SMILES notation for 1-butyl-3,5-dimethylpyridin-2-one?
The canonical SMILES for 1-butyl-3,5-dimethylpyridin-2-one is CCCCn1cc(C)cc(C)c1=O.
What is the InChIKey of 1-butyl-3,5-dimethylpyridin-2-one?
The InChIKey is OIUGDUSKRYOJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-5-6-12-8-9(2)7-10(3)11(12)13/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-butyl-3,5-dimethylpyridin-2-one?
1-butyl-3,5-dimethylpyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,5-dimethylpyridin-2-one is sourced from PubChem (CID 13169253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).