3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione

C10H10N2O5 — CID 157134847

IUPAC3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)NC1=O.O=C1C=C(CO)C(=O)N1
InChIInChI=1S/C5H5NO3.C5H5NO2/c7-2-3-1-4(8)6-5(3)9;1-3-2-4(7)6-5(3)8/h1,7H,2H2,(H,6,8,9);2H,1H3,(H,6,7,8)
InChIKeyAJMSMDIJROUUIF-UHFFFAOYSA-N
MW238.20 g/mol
LogP-1.85
Rot. Bonds1

About 3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione

3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione (PubChem CID 157134847) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione
PubChem CID157134847
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)NC1=O.O=C1C=C(CO)C(=O)N1
InChIInChI=1S/C5H5NO3.C5H5NO2/c7-2-3-1-4(8)6-5(3)9;1-3-2-4(7)6-5(3)8/h1,7H,2H2,(H,6,8,9);2H,1H3,(H,6,7,8)
InChIKeyAJMSMDIJROUUIF-UHFFFAOYSA-N
XLogP-1.85
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione?
The IUPAC name of 3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione (CID 157134847) is 3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione?
The canonical SMILES for 3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione is CC1=CC(=O)NC1=O.O=C1C=C(CO)C(=O)N1.
What is the InChIKey of 3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione?
The InChIKey is AJMSMDIJROUUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3.C5H5NO2/c7-2-3-1-4(8)6-5(3)9;1-3-2-4(7)6-5(3)8/h1,7H,2H2,(H,6,8,9);2H,1H3,(H,6,7,8).
What are the key properties of 3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione?
3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione has a molecular weight of 238.20 g/mol, XLogP of -1.85, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)pyrrole-2,5-dione;3-methylpyrrole-2,5-dione is sourced from PubChem (CID 157134847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).