1-methylpyrrole-2,5-dione;toluene

C12H13NO2 — CID 159040601

IUPAC1-methylpyrrole-2,5-dione;toluene
SMILESCN1C(=O)C=CC1=O.Cc1ccccc1
InChIInChI=1S/C7H8.C5H5NO2/c1-7-5-3-2-4-6-7;1-6-4(7)2-3-5(6)8/h2-6H,1H3;2-3H,1H3
InChIKeyJVZTVDGCMIRSBS-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.54
Rot. Bonds

About 1-methylpyrrole-2,5-dione;toluene

1-methylpyrrole-2,5-dione;toluene (PubChem CID 159040601) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-methylpyrrole-2,5-dione;toluene.

Molecular Properties

Compound Name1-methylpyrrole-2,5-dione;toluene
PubChem CID159040601
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-methylpyrrole-2,5-dione;toluene
SMILESCN1C(=O)C=CC1=O.Cc1ccccc1
InChIInChI=1S/C7H8.C5H5NO2/c1-7-5-3-2-4-6-7;1-6-4(7)2-3-5(6)8/h2-6H,1H3;2-3H,1H3
InChIKeyJVZTVDGCMIRSBS-UHFFFAOYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrole-2,5-dione;toluene?
The IUPAC name of 1-methylpyrrole-2,5-dione;toluene (CID 159040601) is 1-methylpyrrole-2,5-dione;toluene.
What is the SMILES notation for 1-methylpyrrole-2,5-dione;toluene?
The canonical SMILES for 1-methylpyrrole-2,5-dione;toluene is CN1C(=O)C=CC1=O.Cc1ccccc1.
What is the InChIKey of 1-methylpyrrole-2,5-dione;toluene?
The InChIKey is JVZTVDGCMIRSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H5NO2/c1-7-5-3-2-4-6-7;1-6-4(7)2-3-5(6)8/h2-6H,1H3;2-3H,1H3.
What are the key properties of 1-methylpyrrole-2,5-dione;toluene?
1-methylpyrrole-2,5-dione;toluene has a molecular weight of 203.24 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrole-2,5-dione;toluene is sourced from PubChem (CID 159040601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).