3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione

C18H13NO2 — CID 141489525

IUPAC3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione
SMILESC=Cc1ccccc1C1=C(c2ccccc2)C(=O)NC1=O
InChIInChI=1S/C18H13NO2/c1-2-12-8-6-7-11-14(12)16-15(17(20)19-18(16)21)13-9-4-3-5-10-13/h2-11H,1H2,(H,19,20,21)
InChIKeyOYVYELPAAVAUOF-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.90
Rot. Bonds3

About 3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione

3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 141489525) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione
PubChem CID141489525
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione
SMILESC=Cc1ccccc1C1=C(c2ccccc2)C(=O)NC1=O
InChIInChI=1S/C18H13NO2/c1-2-12-8-6-7-11-14(12)16-15(17(20)19-18(16)21)13-9-4-3-5-10-13/h2-11H,1H2,(H,19,20,21)
InChIKeyOYVYELPAAVAUOF-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one
CID 10957733
3-methyl-4-phenylpyrrole-2,5-dione
CID 54119912
3-phenyl-4-prop-2-enylsulfonylpyrrole-2,5-dione
CID 175375503
2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146639140
1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione)
CID 174896679
2-ethenyl-6-phenylaniline
CID 162513361
3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione
CID 53254280
3-(2-ethenylphenyl)-N,N-diphenylaniline
CID 91124451
3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane
CID 172699438
(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid
CID 68869387
1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 174952224
isoindole-1,3-dione;phosphane
CID 89428738

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione (CID 141489525) is 3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione is C=Cc1ccccc1C1=C(c2ccccc2)C(=O)NC1=O.
What is the InChIKey of 3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is OYVYELPAAVAUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-2-12-8-6-7-11-14(12)16-15(17(20)19-18(16)21)13-9-4-3-5-10-13/h2-11H,1H2,(H,19,20,21).
What are the key properties of 3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione?
3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 275.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 141489525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).