1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone

C12H16N2O — CID 102538999

IUPAC1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cccc(C)n1
InChIInChI=1S/C12H16N2O/c1-9-5-3-6-11(13-9)12-7-4-8-14(12)10(2)15/h3,5-6,12H,4,7-8H2,1-2H3
InChIKeyQQIVZKKXWJUKPL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.07
Rot. Bonds1

About 1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone

1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone (PubChem CID 102538999) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
PubChem CID102538999
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cccc(C)n1
InChIInChI=1S/C12H16N2O/c1-9-5-3-6-11(13-9)12-7-4-8-14(12)10(2)15/h3,5-6,12H,4,7-8H2,1-2H3
InChIKeyQQIVZKKXWJUKPL-UHFFFAOYSA-N
XLogP2.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 95816016
6-[(2R)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 95816015
1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95730771
3-[6-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-methylpropanamide
CID 110269727
1-[2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265055
(2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 99831648
3-(1-methylpyrazol-3-yl)-1-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-1-one
CID 164632753
N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458
1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95846664
1-[2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110271435
[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 126776787

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone (CID 102538999) is 1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1cccc(C)n1.
What is the InChIKey of 1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone?
The InChIKey is QQIVZKKXWJUKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-5-3-6-11(13-9)12-7-4-8-14(12)10(2)15/h3,5-6,12H,4,7-8H2,1-2H3.
What are the key properties of 1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone?
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone has a molecular weight of 204.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 102538999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).