3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one

C11H21NO2 — CID 62467064

IUPAC3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one
SMILESCC(=O)C(C)N1CCCC1CCCO
InChIInChI=1S/C11H21NO2/c1-9(10(2)14)12-7-3-5-11(12)6-4-8-13/h9,11,13H,3-8H2,1-2H3
InChIKeyORHSTCFIQTYOCL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.20
Rot. Bonds5

About 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one

3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one (PubChem CID 62467064) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one.

Molecular Properties

Compound Name3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one
PubChem CID62467064
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one
SMILESCC(=O)C(C)N1CCCC1CCCO
InChIInChI=1S/C11H21NO2/c1-9(10(2)14)12-7-3-5-11(12)6-4-8-13/h9,11,13H,3-8H2,1-2H3
InChIKeyORHSTCFIQTYOCL-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one?
The IUPAC name of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one (CID 62467064) is 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one.
What is the SMILES notation for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one?
The canonical SMILES for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one is CC(=O)C(C)N1CCCC1CCCO.
What is the InChIKey of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one?
The InChIKey is ORHSTCFIQTYOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(10(2)14)12-7-3-5-11(12)6-4-8-13/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one?
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butan-2-one is sourced from PubChem (CID 62467064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).