1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione

C8H11NO4 — CID 22403508

IUPAC1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(C)(O)CO)C1=O
InChIInChI=1S/C8H11NO4/c1-5-3-6(11)9(7(5)12)8(2,13)4-10/h3,10,13H,4H2,1-2H3
InChIKeyPCYHIGFEWBTOCL-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.00
Rot. Bonds2

About 1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione

1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione (PubChem CID 22403508) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione
PubChem CID22403508
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(C)(O)CO)C1=O
InChIInChI=1S/C8H11NO4/c1-5-3-6(11)9(7(5)12)8(2,13)4-10/h3,10,13H,4H2,1-2H3
InChIKeyPCYHIGFEWBTOCL-UHFFFAOYSA-N
XLogP-1.00
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1-(1,1,1-trihydroxy-2-methylpropan-2-yl)pyrrole-2,5-dione
CID 22403521
1-(2,3-Dihydroxypropyl)-3-methylpyrrole-2,5-dione
CID 54126600
1-(1,2-Dihydroxypropan-2-yl)pyrrole-2,5-dione
CID 140586250
2-methyl-N-(1,2,3-trihydroxypropan-2-yl)but-2-enamide
CID 173289792
1-(1-Hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione
CID 61209446
1-(1-Hydroxy-2-methylbutan-2-yl)-3-methylpyrrole-2,5-dione
CID 64556040
1-(1,3-Dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione
CID 65314687
1-(2,3-Dihydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione
CID 66185307
1-(1,3-Dihydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione
CID 81965294
1-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylpyrrole-2,5-dione
CID 107849759
1-[1-Hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylpyrrole-2,5-dione
CID 107866903
1-[1-(Hydroxymethyl)cyclopropyl]-3-methylpyrrole-2,5-dione
CID 116348760

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione (CID 22403508) is 1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(C(C)(O)CO)C1=O.
What is the InChIKey of 1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione?
The InChIKey is PCYHIGFEWBTOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-5-3-6(11)9(7(5)12)8(2,13)4-10/h3,10,13H,4H2,1-2H3.
What are the key properties of 1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione?
1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione has a molecular weight of 185.18 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 22403508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).