2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one

C15H22N2O — CID 79069628

IUPAC2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C)(C(=O)c1cnccc1C)N1CCCC1
InChIInChI=1S/C15H22N2O/c1-4-15(3,17-9-5-6-10-17)14(18)13-11-16-8-7-12(13)2/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyJSINJPAAGHTHNR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.84
Rot. Bonds4

About 2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one

2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 79069628) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one
PubChem CID79069628
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C)(C(=O)c1cnccc1C)N1CCCC1
InChIInChI=1S/C15H22N2O/c1-4-15(3,17-9-5-6-10-17)14(18)13-11-16-8-7-12(13)2/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyJSINJPAAGHTHNR-UHFFFAOYSA-N
XLogP2.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one
CID 79045680
1-(5-fluoro-2-methylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069554
2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 103446599
2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116603939
2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 130562265
1-(4-amino-3-pyridinyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 79068133
3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one
CID 104735994
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79065201
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901
1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one
CID 79051639
2-methoxy-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 79196818
2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol
CID 79045471

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one (CID 79069628) is 2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one is CCC(C)(C(=O)c1cnccc1C)N1CCCC1.
What is the InChIKey of 2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is JSINJPAAGHTHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-15(3,17-9-5-6-10-17)14(18)13-11-16-8-7-12(13)2/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one?
2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 79069628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).