1-(2-methylphenyl)pyrrole-2,5-dione

C11H9NO2 — CID 19989

IUPAC1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h2-7H,1H3
InChIKeyQYOJZFBQEAZNEW-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.42
Rot. Bonds1

About 1-(2-methylphenyl)pyrrole-2,5-dione

1-(2-methylphenyl)pyrrole-2,5-dione (PubChem CID 19989) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-(2-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-methylphenyl)pyrrole-2,5-dione
PubChem CID19989
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h2-7H,1H3
InChIKeyQYOJZFBQEAZNEW-UHFFFAOYSA-N
XLogP1.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.42
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-(2-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-methylphenyl)pyrrole-2,5-dione (CID 19989) is 1-(2-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-methylphenyl)pyrrole-2,5-dione is Cc1ccccc1N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-methylphenyl)pyrrole-2,5-dione?
The InChIKey is QYOJZFBQEAZNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h2-7H,1H3.
What are the key properties of 1-(2-methylphenyl)pyrrole-2,5-dione?
1-(2-methylphenyl)pyrrole-2,5-dione has a molecular weight of 187.20 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 19989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).