1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one

C12H23NO3 — CID 173385399

IUPAC1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one
SMILESCC(O)CC(CC(C)O)CN1CCCC1=O
InChIInChI=1S/C12H23NO3/c1-9(14)6-11(7-10(2)15)8-13-5-3-4-12(13)16/h9-11,14-15H,3-8H2,1-2H3
InChIKeyHZAHQUGBLMJKOY-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.77
Rot. Bonds6

About 1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one

1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one (PubChem CID 173385399) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one
PubChem CID173385399
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one
SMILESCC(O)CC(CC(C)O)CN1CCCC1=O
InChIInChI=1S/C12H23NO3/c1-9(14)6-11(7-10(2)15)8-13-5-3-4-12(13)16/h9-11,14-15H,3-8H2,1-2H3
InChIKeyHZAHQUGBLMJKOY-UHFFFAOYSA-N
XLogP0.77
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-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 1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one (CID 173385399) is 1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one is CC(O)CC(CC(C)O)CN1CCCC1=O.
What is the InChIKey of 1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one?
The InChIKey is HZAHQUGBLMJKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(14)6-11(7-10(2)15)8-13-5-3-4-12(13)16/h9-11,14-15H,3-8H2,1-2H3.
What are the key properties of 1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one?
1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-2-(2-hydroxypropyl)pentyl]pyrrolidin-2-one is sourced from PubChem (CID 173385399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).