3-anilino-1-methyl-4-phenylpyrrole-2,5-dione

C17H14N2O2 — CID 6539523

IUPAC3-anilino-1-methyl-4-phenylpyrrole-2,5-dione
SMILESCN1C(=O)C(Nc2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C17H14N2O2/c1-19-16(20)14(12-8-4-2-5-9-12)15(17(19)21)18-13-10-6-3-7-11-13/h2-11,18H,1H3
InChIKeyVHMAXOKYWIMGCU-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.51
Rot. Bonds3

About 3-anilino-1-methyl-4-phenylpyrrole-2,5-dione

3-anilino-1-methyl-4-phenylpyrrole-2,5-dione (PubChem CID 6539523) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-anilino-1-methyl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-1-methyl-4-phenylpyrrole-2,5-dione
PubChem CID6539523
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-anilino-1-methyl-4-phenylpyrrole-2,5-dione
SMILESCN1C(=O)C(Nc2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C17H14N2O2/c1-19-16(20)14(12-8-4-2-5-9-12)15(17(19)21)18-13-10-6-3-7-11-13/h2-11,18H,1H3
InChIKeyVHMAXOKYWIMGCU-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-anilino-1-methyl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-anilino-1-methyl-4-phenylpyrrole-2,5-dione (CID 6539523) is 3-anilino-1-methyl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-1-methyl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-anilino-1-methyl-4-phenylpyrrole-2,5-dione is CN1C(=O)C(Nc2ccccc2)=C(c2ccccc2)C1=O.
What is the InChIKey of 3-anilino-1-methyl-4-phenylpyrrole-2,5-dione?
The InChIKey is VHMAXOKYWIMGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-19-16(20)14(12-8-4-2-5-9-12)15(17(19)21)18-13-10-6-3-7-11-13/h2-11,18H,1H3.
What are the key properties of 3-anilino-1-methyl-4-phenylpyrrole-2,5-dione?
3-anilino-1-methyl-4-phenylpyrrole-2,5-dione has a molecular weight of 278.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-methyl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 6539523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).