2-[1-(2-hydroxybutyl)pyrrolidin-2-yl]cyclopentan-1-one

C13H23NO2 — CID 79543729

IUPAC2-[1-(2-hydroxybutyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCCC(O)CN1CCCC1C1CCCC1=O
InChIInChI=1S/C13H23NO2/c1-2-10(15)9-14-8-4-6-12(14)11-5-3-7-13(11)16/h10-12,15H,2-9H2,1H3
InChIKeyKLWSUSRXPLYWFK-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.59
Rot. Bonds4

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

2-[1-(2-hydroxybutyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79543729) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[1-(2-hydroxybutyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(2-hydroxybutyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79543729
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[1-(2-hydroxybutyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCCC(O)CN1CCCC1C1CCCC1=O
InChIInChI=1S/C13H23NO2/c1-2-10(15)9-14-8-4-6-12(14)11-5-3-7-13(11)16/h10-12,15H,2-9H2,1H3
InChIKeyKLWSUSRXPLYWFK-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxybutyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(2-hydroxybutyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 79543729) is 2-[1-(2-hydroxybutyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(2-hydroxybutyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(2-hydroxybutyl)pyrrolidin-2-yl]cyclopentan-1-one is CCC(O)CN1CCCC1C1CCCC1=O.
What is the InChIKey of 2-[1-(2-hydroxybutyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is KLWSUSRXPLYWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-10(15)9-14-8-4-6-12(14)11-5-3-7-13(11)16/h10-12,15H,2-9H2,1H3.
What are the key properties of 2-[1-(2-hydroxybutyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(2-hydroxybutyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxybutyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79543729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).