3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one

C7H11NO2 — CID 164745557

IUPAC3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one
SMILESCC(C)C1=C(O)CNC1=O
InChIInChI=1S/C7H11NO2/c1-4(2)6-5(9)3-8-7(6)10/h4,9H,3H2,1-2H3,(H,8,10)
InChIKeyBROKVZVKRJTPAE-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.58
Rot. Bonds1

About 3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one

3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one (PubChem CID 164745557) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one
PubChem CID164745557
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one
SMILESCC(C)C1=C(O)CNC1=O
InChIInChI=1S/C7H11NO2/c1-4(2)6-5(9)3-8-7(6)10/h4,9H,3H2,1-2H3,(H,8,10)
InChIKeyBROKVZVKRJTPAE-UHFFFAOYSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-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 3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one (CID 164745557) is 3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one is CC(C)C1=C(O)CNC1=O.
What is the InChIKey of 3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one?
The InChIKey is BROKVZVKRJTPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4(2)6-5(9)3-8-7(6)10/h4,9H,3H2,1-2H3,(H,8,10).
What are the key properties of 3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one?
3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 164745557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).