1-(4-methylanilino)pyrrole-2,5-dione

C11H10N2O2 — CID 781245

IUPAC1-(4-methylanilino)pyrrole-2,5-dione
SMILESCc1ccc(NN2C(=O)C=CC2=O)cc1
InChIInChI=1S/C11H10N2O2/c1-8-2-4-9(5-3-8)12-13-10(14)6-7-11(13)15/h2-7,12H,1H3
InChIKeyUEFJWXBYJMDKPN-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.25
Rot. Bonds2

About 1-(4-methylanilino)pyrrole-2,5-dione

1-(4-methylanilino)pyrrole-2,5-dione (PubChem CID 781245) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-(4-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-methylanilino)pyrrole-2,5-dione
PubChem CID781245
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name1-(4-methylanilino)pyrrole-2,5-dione
SMILESCc1ccc(NN2C(=O)C=CC2=O)cc1
InChIInChI=1S/C11H10N2O2/c1-8-2-4-9(5-3-8)12-13-10(14)6-7-11(13)15/h2-7,12H,1H3
InChIKeyUEFJWXBYJMDKPN-UHFFFAOYSA-N
XLogP1.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Diphenyl-1H-pyrazol-5-OL
CID 245736
1-o-Tolylamino-pyrrole-2,5-dione
CID 843308
1-anilino-3-phenyl-1H-pyrrole-2,5-dione
CID 1484338
3-phenyl-1-(4-toluidino)-1H-pyrrole-2,5-dione
CID 3775626
2-(4-aminobenzoyl)-5-methyl-1H-pyrazol-3-one
CID 145981705
3-[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]propanenitrile
CID 617757
5-(4-aminophenyl)-2,3-dihydro-1H-pyrazol-3-one
CID 11600758
1-(3,4-Dimethylphenyl)-3-methyl-3-pyrazolin-5-one
CID 11735829
4-methyl-2-phenyl-1H-pyridazine-3,6-dione
CID 2738086
1-(Phenylamino)-1H-pyrrole-2,5-dione
CID 243252
3-Methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol
CID 2736898
1-[3,5-Bis(trifluoromethyl)anilino]-3,4-dimethylpyrrole-2,5-dione
CID 59840816

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(4-methylanilino)pyrrole-2,5-dione (CID 781245) is 1-(4-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-methylanilino)pyrrole-2,5-dione is Cc1ccc(NN2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-(4-methylanilino)pyrrole-2,5-dione?
The InChIKey is UEFJWXBYJMDKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-2-4-9(5-3-8)12-13-10(14)6-7-11(13)15/h2-7,12H,1H3.
What are the key properties of 1-(4-methylanilino)pyrrole-2,5-dione?
1-(4-methylanilino)pyrrole-2,5-dione has a molecular weight of 202.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 781245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).