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

C13H23NO2 — CID 62467066

IUPAC2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one
SMILESO=C1CCCCC1N1CCCC1CCCO
InChIInChI=1S/C13H23NO2/c15-10-4-6-11-5-3-9-14(11)12-7-1-2-8-13(12)16/h11-12,15H,1-10H2
InChIKeyYDFYWLSWILVXJA-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.74
Rot. Bonds4

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

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one (PubChem CID 62467066) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one
PubChem CID62467066
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one
SMILESO=C1CCCCC1N1CCCC1CCCO
InChIInChI=1S/C13H23NO2/c15-10-4-6-11-5-3-9-14(11)12-7-1-2-8-13(12)16/h11-12,15H,1-10H2
InChIKeyYDFYWLSWILVXJA-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one?
The IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one (CID 62467066) is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one?
The canonical SMILES for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one is O=C1CCCCC1N1CCCC1CCCO.
What is the InChIKey of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one?
The InChIKey is YDFYWLSWILVXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-10-4-6-11-5-3-9-14(11)12-7-1-2-8-13(12)16/h11-12,15H,1-10H2.
What are the key properties of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one?
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one is sourced from PubChem (CID 62467066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).