1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone

C14H25NO — CID 104751088

IUPAC1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(C)C1CCN(CC(=O)C2CCCC2)C1
InChIInChI=1S/C14H25NO/c1-11(2)13-7-8-15(9-13)10-14(16)12-5-3-4-6-12/h11-13H,3-10H2,1-2H3
InChIKeyOKFAAEPVYQOHFX-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.72
Rot. Bonds4

About 1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone

1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 104751088) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
PubChem CID104751088
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(C)C1CCN(CC(=O)C2CCCC2)C1
InChIInChI=1S/C14H25NO/c1-11(2)13-7-8-15(9-13)10-14(16)12-5-3-4-6-12/h11-13H,3-10H2,1-2H3
InChIKeyOKFAAEPVYQOHFX-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957
1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498923
1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 104750922
1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 104750771
1-cyclopentyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 103160187
ethyl 2,2-dimethyl-3-oxo-4-(3-propan-2-ylpyrrolidin-1-yl)butanoate
CID 113418116
1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299
1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone
CID 104749900
3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 115773094
1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone
CID 104750832
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 112630179
1-cyclopropyl-2-(4-ethylpiperidin-1-yl)ethanone
CID 63913438

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone (CID 104751088) is 1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone is CC(C)C1CCN(CC(=O)C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is OKFAAEPVYQOHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)13-7-8-15(9-13)10-14(16)12-5-3-4-6-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 223.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 104751088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).