1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone

C13H23NO — CID 104750922

IUPAC1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1CN(CC(=O)C2CCCC2)CC1C
InChIInChI=1S/C13H23NO/c1-10-7-14(8-11(10)2)9-13(15)12-5-3-4-6-12/h10-12H,3-9H2,1-2H3
InChIKeyRKWBTRPOBQHJTH-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.33
Rot. Bonds3

About 1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone

1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone (PubChem CID 104750922) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
PubChem CID104750922
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1CN(CC(=O)C2CCCC2)CC1C
InChIInChI=1S/C13H23NO/c1-10-7-14(8-11(10)2)9-13(15)12-5-3-4-6-12/h10-12H,3-9H2,1-2H3
InChIKeyRKWBTRPOBQHJTH-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone
CID 104749900
1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone
CID 104750832
1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114594142
1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 104750771
1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 104751088
1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957
1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
CID 104751072
2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone
CID 113448723
1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 104749970
1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 104750643
1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 113448813

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone (CID 104750922) is 1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone is CC1CN(CC(=O)C2CCCC2)CC1C.
What is the InChIKey of 1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone?
The InChIKey is RKWBTRPOBQHJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10-7-14(8-11(10)2)9-13(15)12-5-3-4-6-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone?
1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone has a molecular weight of 209.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 104750922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).