1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone

C12H16N2O — CID 102539024

IUPAC1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ncccc1C
InChIInChI=1S/C12H16N2O/c1-9-5-3-7-13-12(9)11-6-4-8-14(11)10(2)15/h3,5,7,11H,4,6,8H2,1-2H3
InChIKeyACUNXKVDBAQEGG-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.07
Rot. Bonds1

About 1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone

1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone (PubChem CID 102539024) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
PubChem CID102539024
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ncccc1C
InChIInChI=1S/C12H16N2O/c1-9-5-3-7-13-12(9)11-6-4-8-14(11)10(2)15/h3,5,7,11H,4,6,8H2,1-2H3
InChIKeyACUNXKVDBAQEGG-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

1-[2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265055
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
2,6-bis(3-methyl-2-pyridinyl)piperidin-1-amine
CID 67421572
1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540000
1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110101703
1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102539767
(3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124953337
N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide
CID 11303546
1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539508
tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102540671
1-[2-[2-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540255
1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 102539175

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone (CID 102539024) is 1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1ncccc1C.
What is the InChIKey of 1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone?
The InChIKey is ACUNXKVDBAQEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-5-3-7-13-12(9)11-6-4-8-14(11)10(2)15/h3,5,7,11H,4,6,8H2,1-2H3.
What are the key properties of 1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone?
1-[2-(3-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-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 102539024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).