1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one

C8H13NO2 — CID 144633559

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one
SMILESCC(C)(CO)N1CC=CC1=O
InChIInChI=1S/C8H13NO2/c1-8(2,6-10)9-5-3-4-7(9)11/h3-4,10H,5-6H2,1-2H3
InChIKeyPNIDGGQPTCCJLC-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.16
Rot. Bonds2

About 1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one

1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one (PubChem CID 144633559) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one
PubChem CID144633559
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one
SMILESCC(C)(CO)N1CC=CC1=O
InChIInChI=1S/C8H13NO2/c1-8(2,6-10)9-5-3-4-7(9)11/h3-4,10H,5-6H2,1-2H3
InChIKeyPNIDGGQPTCCJLC-UHFFFAOYSA-N
XLogP0.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-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 1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one (CID 144633559) is 1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one is CC(C)(CO)N1CC=CC1=O.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one?
The InChIKey is PNIDGGQPTCCJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2,6-10)9-5-3-4-7(9)11/h3-4,10H,5-6H2,1-2H3.
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one?
1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 144633559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).