2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone

C13H24N2O2 — CID 112625298

IUPAC2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCC(O)C1CCN(C(=O)CC2(N)CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-10(16)11-4-7-15(9-11)12(17)8-13(14)5-2-3-6-13/h10-11,16H,2-9,14H2,1H3
InChIKeyOAYZAJKKJRGNRK-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.88
Rot. Bonds3

About 2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone

2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone (PubChem CID 112625298) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
PubChem CID112625298
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCC(O)C1CCN(C(=O)CC2(N)CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-10(16)11-4-7-15(9-11)12(17)8-13(14)5-2-3-6-13/h10-11,16H,2-9,14H2,1H3
InChIKeyOAYZAJKKJRGNRK-UHFFFAOYSA-N
XLogP0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone (CID 112625298) is 2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone is CC(O)C1CCN(C(=O)CC2(N)CCCC2)C1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is OAYZAJKKJRGNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(16)11-4-7-15(9-11)12(17)8-13(14)5-2-3-6-13/h10-11,16H,2-9,14H2,1H3.
What are the key properties of 2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 112625298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).