1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone

C12H16N2O — CID 95842154

IUPAC1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1Cc1ccccn1
InChIInChI=1S/C12H16N2O/c1-10(15)14-8-4-6-12(14)9-11-5-2-3-7-13-11/h2-3,5,7,12H,4,6,8-9H2,1H3/t12-/m1/s1
InChIKeyNFRPHVJYBCCTFQ-GFCCVEGCSA-N
MW204.27 g/mol
LogP1.63
Rot. Bonds2

About 1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone

1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 95842154) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID95842154
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1Cc1ccccn1
InChIInChI=1S/C12H16N2O/c1-10(15)14-8-4-6-12(14)9-11-5-2-3-7-13-11/h2-3,5,7,12H,4,6,8-9H2,1H3/t12-/m1/s1
InChIKeyNFRPHVJYBCCTFQ-GFCCVEGCSA-N
XLogP1.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 121451699
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 130315704
(4-tert-butylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 121450378
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
1-[(2R)-2-[(2S)-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95613097
2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine
CID 71215497
2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56803059
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 116636366
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone;dihydrochloride
CID 119632151
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 81453761
1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 125167186

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone (CID 95842154) is 1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1Cc1ccccn1.
What is the InChIKey of 1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is NFRPHVJYBCCTFQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(15)14-8-4-6-12(14)9-11-5-2-3-7-13-11/h2-3,5,7,12H,4,6,8-9H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone?
1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 204.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95842154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).