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

C21H20N2O2 — CID 110594820

IUPAC3-(2,3-dimethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccccc2)C1=O
InChIInChI=1S/C21H20N2O2/c1-4-13-23-20(24)18(16-10-6-5-7-11-16)19(21(23)25)22-17-12-8-9-14(2)15(17)3/h4-12,22H,1,13H2,2-3H3
InChIKeyYUYFIKGGLYHHFV-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.68
Rot. Bonds5

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

3-(2,3-dimethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione (PubChem CID 110594820) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(2,3-dimethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dimethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
PubChem CID110594820
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name3-(2,3-dimethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccccc2)C1=O
InChIInChI=1S/C21H20N2O2/c1-4-13-23-20(24)18(16-10-6-5-7-11-16)19(21(23)25)22-17-12-8-9-14(2)15(17)3/h4-12,22H,1,13H2,2-3H3
InChIKeyYUYFIKGGLYHHFV-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
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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Related Compounds

3-(2,4-dichlorophenyl)-4-(2,3-dimethylanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110598932
3-(2,3-dimethylanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594736
3-[4-(diethylamino)anilino]-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
CID 110594804
3-(3,4-dimethylphenyl)-4-(2-ethoxyanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110589122
3-anilino-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110588017
3-(3-chloro-2-methylanilino)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594589
3-(2,3-dimethylanilino)-1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600349
3-(2,3-dimethylanilino)-4-(4-fluorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110586124
3-anilino-4-(3,4-dimethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110597110
3-(2,3-dimethylanilino)-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110593913
3-(2,3-dimethylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-propylpyrrole-2,5-dione
CID 110590039
3-(2,3-dimethylanilino)-1-(2-morpholin-4-ylethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585429

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dimethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione (CID 110594820) is 3-(2,3-dimethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dimethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dimethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione is C=CCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccccc2)C1=O.
What is the InChIKey of 3-(2,3-dimethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione?
The InChIKey is YUYFIKGGLYHHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-4-13-23-20(24)18(16-10-6-5-7-11-16)19(21(23)25)22-17-12-8-9-14(2)15(17)3/h4-12,22H,1,13H2,2-3H3.
What are the key properties of 3-(2,3-dimethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione?
3-(2,3-dimethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione has a molecular weight of 332.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione is sourced from PubChem (CID 110594820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).