1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone

C12H21NO — CID 144857391

IUPAC1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone
SMILESCC(=O)C1CCN(C2CCC(C)C2)C1
InChIInChI=1S/C12H21NO/c1-9-3-4-12(7-9)13-6-5-11(8-13)10(2)14/h9,11-12H,3-8H2,1-2H3
InChIKeyCAONSOAYPZYXQN-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.09
Rot. Bonds2

About 1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone

1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone (PubChem CID 144857391) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone
PubChem CID144857391
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone
SMILESCC(=O)C1CCN(C2CCC(C)C2)C1
InChIInChI=1S/C12H21NO/c1-9-3-4-12(7-9)13-6-5-11(8-13)10(2)14/h9,11-12H,3-8H2,1-2H3
InChIKeyCAONSOAYPZYXQN-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone
CID 64750444
(3R)-1-[(1R,3R)-3-methylcyclopentyl]piperidine-3-carboxamide
CID 30979824
3-fluoro-1-(3-methylcyclopentyl)pyrrolidine
CID 144865924
1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone
CID 177358197
1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide
CID 26458332
(3R)-3-methyl-1-(3-methylcyclopentyl)piperazine
CID 130736458
1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid
CID 64731256
1-(1-cycloheptylpiperidin-3-yl)ethanone
CID 82926630
3-ethyl-1-(3-methylcyclopentyl)piperidin-4-amine
CID 81457825
3-fluoro-1-(3-methylcyclopentyl)azetidine
CID 123353317
N-methyl-1-(3-methylcyclopentyl)piperidin-3-amine
CID 64514279
6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane
CID 114550967

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone (CID 144857391) is 1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone is CC(=O)C1CCN(C2CCC(C)C2)C1.
What is the InChIKey of 1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone?
The InChIKey is CAONSOAYPZYXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-3-4-12(7-9)13-6-5-11(8-13)10(2)14/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone?
1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone has a molecular weight of 195.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 144857391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).