5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one

C12H23NO2 — CID 62467417

IUPAC5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one
SMILESCC(=O)CCCN1CCCC1CCCO
InChIInChI=1S/C12H23NO2/c1-11(15)5-2-8-13-9-3-6-12(13)7-4-10-14/h12,14H,2-10H2,1H3
InChIKeyGQGSVOJFHKBQBB-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.59
Rot. Bonds7

About 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one

5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one (PubChem CID 62467417) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one.

Molecular Properties

Compound Name5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one
PubChem CID62467417
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one
SMILESCC(=O)CCCN1CCCC1CCCO
InChIInChI=1S/C12H23NO2/c1-11(15)5-2-8-13-9-3-6-12(13)7-4-10-14/h12,14H,2-10H2,1H3
InChIKeyGQGSVOJFHKBQBB-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one?
The IUPAC name of 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one (CID 62467417) is 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one.
What is the SMILES notation for 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one?
The canonical SMILES for 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one is CC(=O)CCCN1CCCC1CCCO.
What is the InChIKey of 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one?
The InChIKey is GQGSVOJFHKBQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(15)5-2-8-13-9-3-6-12(13)7-4-10-14/h12,14H,2-10H2,1H3.
What are the key properties of 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one?
5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentan-2-one is sourced from PubChem (CID 62467417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).