1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline

C17H16N2O3 — CID 175561101

IUPAC1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline
SMILESCc1ccc(N)cc1.O=C1C=CC(=O)N1c1ccccc1O
InChIInChI=1S/C10H7NO3.C7H9N/c12-8-4-2-1-3-7(8)11-9(13)5-6-10(11)14;1-6-2-4-7(8)5-3-6/h1-6,12H;2-5H,8H2,1H3
InChIKeyBWEKVNUNCVVSAP-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.40
Rot. Bonds1

About 1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline

1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline (PubChem CID 175561101) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline
PubChem CID175561101
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline
SMILESCc1ccc(N)cc1.O=C1C=CC(=O)N1c1ccccc1O
InChIInChI=1S/C10H7NO3.C7H9N/c12-8-4-2-1-3-7(8)11-9(13)5-6-10(11)14;1-6-2-4-7(8)5-3-6/h1-6,12H;2-5H,8H2,1H3
InChIKeyBWEKVNUNCVVSAP-UHFFFAOYSA-N
XLogP2.40
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline?
The IUPAC name of 1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline (CID 175561101) is 1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline.
What is the SMILES notation for 1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline?
The canonical SMILES for 1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline is Cc1ccc(N)cc1.O=C1C=CC(=O)N1c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline?
The InChIKey is BWEKVNUNCVVSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3.C7H9N/c12-8-4-2-1-3-7(8)11-9(13)5-6-10(11)14;1-6-2-4-7(8)5-3-6/h1-6,12H;2-5H,8H2,1H3.
What are the key properties of 1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline?
1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline has a molecular weight of 296.33 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline is sourced from PubChem (CID 175561101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).