1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione

C10H15NO4 — CID 107866903

IUPAC1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione
SMILESCCC(CO)(CO)N1C(=O)C=C(C)C1=O
InChIInChI=1S/C10H15NO4/c1-3-10(5-12,6-13)11-8(14)4-7(2)9(11)15/h4,12-13H,3,5-6H2,1-2H3
InChIKeyAVJWMTKNCGAHIJ-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.57
Rot. Bonds4

About 1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione

1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione (PubChem CID 107866903) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione
PubChem CID107866903
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione
SMILESCCC(CO)(CO)N1C(=O)C=C(C)C1=O
InChIInChI=1S/C10H15NO4/c1-3-10(5-12,6-13)11-8(14)4-7(2)9(11)15/h4,12-13H,3,5-6H2,1-2H3
InChIKeyAVJWMTKNCGAHIJ-UHFFFAOYSA-N
XLogP-0.57
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione
CID 57328063
N-[1,1-bis(hydroxymethyl)propyl]dimethyl maleimide
CID 19904550
1-(1,2-Dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione
CID 22403508
3-Methyl-1-(1,1,1-trihydroxy-2-methylpropan-2-yl)pyrrole-2,5-dione
CID 22403521
1-[3-(Hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione
CID 62520538
1-(1-Hydroxy-2-methylbutan-2-yl)pyrrole-2,5-dione
CID 64558401
1-(1-Hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione
CID 121483285
1-(1-Hydroxybutan-2-yl)-3-methylpyrrole-2,5-dione
CID 61208290
1-(1-Hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione
CID 61209446
1-[3-(Hydroxymethyl)pentan-3-yl]-3-methylpyrrole-2,5-dione
CID 62520718
1-(1-Hydroxy-2-methylpropan-2-yl)-3,4-dimethylpyrrole-2,5-dione
CID 63266933
1-(1-Hydroxy-2-methylbutan-2-yl)-3-methylpyrrole-2,5-dione
CID 64556040

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione (CID 107866903) is 1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione is CCC(CO)(CO)N1C(=O)C=C(C)C1=O.
What is the InChIKey of 1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione?
The InChIKey is AVJWMTKNCGAHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-10(5-12,6-13)11-8(14)4-7(2)9(11)15/h4,12-13H,3,5-6H2,1-2H3.
What are the key properties of 1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione?
1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione has a molecular weight of 213.23 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 107866903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).