3-methyl-1-phenylpyrrole-2,5-dione

C11H9NO2 — CID 689222

IUPAC3-methyl-1-phenylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyQAVUFFJVZGZJMO-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.51
Rot. Bonds1

About 3-methyl-1-phenylpyrrole-2,5-dione

3-methyl-1-phenylpyrrole-2,5-dione (PubChem CID 689222) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-methyl-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-phenylpyrrole-2,5-dione
PubChem CID689222
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name3-methyl-1-phenylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyQAVUFFJVZGZJMO-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
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 3-methyl-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-phenylpyrrole-2,5-dione (CID 689222) is 3-methyl-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-phenylpyrrole-2,5-dione is CC1=CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-1-phenylpyrrole-2,5-dione?
The InChIKey is QAVUFFJVZGZJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 3-methyl-1-phenylpyrrole-2,5-dione?
3-methyl-1-phenylpyrrole-2,5-dione has a molecular weight of 187.20 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 689222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).