1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one

C13H18N2O — CID 116606120

IUPAC1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one
SMILESCc1ccncc1C(=O)CCC1CCNC1
InChIInChI=1S/C13H18N2O/c1-10-4-6-15-9-12(10)13(16)3-2-11-5-7-14-8-11/h4,6,9,11,14H,2-3,5,7-8H2,1H3
InChIKeyFSLMRTPRLVWHBZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.96
Rot. Bonds4

About 1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one

1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one (PubChem CID 116606120) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one
PubChem CID116606120
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one
SMILESCc1ccncc1C(=O)CCC1CCNC1
InChIInChI=1S/C13H18N2O/c1-10-4-6-15-9-12(10)13(16)3-2-11-5-7-14-8-11/h4,6,9,11,14H,2-3,5,7-8H2,1H3
InChIKeyFSLMRTPRLVWHBZ-UHFFFAOYSA-N
XLogP1.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 114877328
1-(4-methyl-3-pyridinyl)-3-piperidin-3-ylbutan-1-one
CID 116594457
N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide
CID 106935104
4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one
CID 106677539
1-(4-ethylphenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606137
1-(4-chloro-2-fluorophenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606153
1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116605952
1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606145
1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606043
1-(3,4-dimethylphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606064
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one
CID 105113496

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one?
The IUPAC name of 1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one (CID 116606120) is 1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one is Cc1ccncc1C(=O)CCC1CCNC1.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one?
The InChIKey is FSLMRTPRLVWHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-4-6-15-9-12(10)13(16)3-2-11-5-7-14-8-11/h4,6,9,11,14H,2-3,5,7-8H2,1H3.
What are the key properties of 1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one?
1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one has a molecular weight of 218.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one is sourced from PubChem (CID 116606120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).