3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione

C21H20N2O2 — CID 110560065

IUPAC3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccccc2)=C(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C21H20N2O2/c1-3-15-23-20(24)18(16-11-7-5-8-12-16)19(21(23)25)22(4-2)17-13-9-6-10-14-17/h3,5-14H,1,4,15H2,2H3
InChIKeyPZLBWOSFUUPOGI-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.48
Rot. Bonds6

About 3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione

3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione (PubChem CID 110560065) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
PubChem CID110560065
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccccc2)=C(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C21H20N2O2/c1-3-15-23-20(24)18(16-11-7-5-8-12-16)19(21(23)25)22(4-2)17-13-9-6-10-14-17/h3,5-14H,1,4,15H2,2H3
InChIKeyPZLBWOSFUUPOGI-UHFFFAOYSA-N
XLogP3.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione?
The IUPAC name of 3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione (CID 110560065) is 3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione?
The canonical SMILES for 3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione is C=CCN1C(=O)C(c2ccccc2)=C(N(CC)c2ccccc2)C1=O.
What is the InChIKey of 3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione?
The InChIKey is PZLBWOSFUUPOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-3-15-23-20(24)18(16-11-7-5-8-12-16)19(21(23)25)22(4-2)17-13-9-6-10-14-17/h3,5-14H,1,4,15H2,2H3.
What are the key properties of 3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione?
3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione has a molecular weight of 332.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione is sourced from PubChem (CID 110560065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).