2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one

C11H19NO2 — CID 112626469

IUPAC2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one
SMILESCC(O)C1CCN(C2CCCC2=O)C1
InChIInChI=1S/C11H19NO2/c1-8(13)9-5-6-12(7-9)10-3-2-4-11(10)14/h8-10,13H,2-7H2,1H3
InChIKeyAHLZYEIAFQYPPT-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.81
Rot. Bonds2

About 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one (PubChem CID 112626469) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one
PubChem CID112626469
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one
SMILESCC(O)C1CCN(C2CCCC2=O)C1
InChIInChI=1S/C11H19NO2/c1-8(13)9-5-6-12(7-9)10-3-2-4-11(10)14/h8-10,13H,2-7H2,1H3
InChIKeyAHLZYEIAFQYPPT-UHFFFAOYSA-N
XLogP0.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one?
The IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one (CID 112626469) is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one?
The canonical SMILES for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one is CC(O)C1CCN(C2CCCC2=O)C1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one?
The InChIKey is AHLZYEIAFQYPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(13)9-5-6-12(7-9)10-3-2-4-11(10)14/h8-10,13H,2-7H2,1H3.
What are the key properties of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one?
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one has a molecular weight of 197.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one is sourced from PubChem (CID 112626469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).