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

C11H9NO2 — CID 10035362

IUPAC1-methyl-5-phenylpyrrole-2,3-dione
SMILESCN1C(=O)C(=O)C=C1c1ccccc1
InChIInChI=1S/C11H9NO2/c1-12-9(7-10(13)11(12)14)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyJPVXPDYEUJZWIX-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.07
Rot. Bonds1

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

1-methyl-5-phenylpyrrole-2,3-dione (PubChem CID 10035362) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-methyl-5-phenylpyrrole-2,3-dione.

Molecular Properties

Compound Name1-methyl-5-phenylpyrrole-2,3-dione
PubChem CID10035362
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name1-methyl-5-phenylpyrrole-2,3-dione
SMILESCN1C(=O)C(=O)C=C1c1ccccc1
InChIInChI=1S/C11H9NO2/c1-12-9(7-10(13)11(12)14)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyJPVXPDYEUJZWIX-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenylpyrrole-2,3-dione?
The IUPAC name of 1-methyl-5-phenylpyrrole-2,3-dione (CID 10035362) is 1-methyl-5-phenylpyrrole-2,3-dione.
What is the SMILES notation for 1-methyl-5-phenylpyrrole-2,3-dione?
The canonical SMILES for 1-methyl-5-phenylpyrrole-2,3-dione is CN1C(=O)C(=O)C=C1c1ccccc1.
What is the InChIKey of 1-methyl-5-phenylpyrrole-2,3-dione?
The InChIKey is JPVXPDYEUJZWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-12-9(7-10(13)11(12)14)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 1-methyl-5-phenylpyrrole-2,3-dione?
1-methyl-5-phenylpyrrole-2,3-dione has a molecular weight of 187.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenylpyrrole-2,3-dione is sourced from PubChem (CID 10035362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).