1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione

C13H13NO2 — CID 67640355

IUPAC1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione
SMILESC=CCc1ccc(N2CC(=O)CC2=O)cc1
InChIInChI=1S/C13H13NO2/c1-2-3-10-4-6-11(7-5-10)14-9-12(15)8-13(14)16/h2,4-7H,1,3,8-9H2
InChIKeyVGURCAOEMJPSLL-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.72
Rot. Bonds3

About 1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione

1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione (PubChem CID 67640355) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione
PubChem CID67640355
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione
SMILESC=CCc1ccc(N2CC(=O)CC2=O)cc1
InChIInChI=1S/C13H13NO2/c1-2-3-10-4-6-11(7-5-10)14-9-12(15)8-13(14)16/h2,4-7H,1,3,8-9H2
InChIKeyVGURCAOEMJPSLL-UHFFFAOYSA-N
XLogP1.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione
CID 79516762
1-(4-methoxyphenyl)pyrrolidine-2,4-dione
CID 79515540
1-[4-(dimethylamino)phenyl]pyrrolidine-2,4-dione
CID 79516096
4-(4-prop-2-enylphenyl)morpholine
CID 70631563
1-(4-prop-2-enylphenyl)pyrazole
CID 90761128
bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one
CID 168684103
(4-prop-2-enylphenyl)boronic acid
CID 21186363
1-phosphoroso-4-prop-2-enylbenzene
CID 174680484
1-(1-benzylpyrazol-4-yl)pyrrolidine-2,4-dione
CID 130948212
1-[4-bromo-3-(trifluoromethyl)phenyl]pyrrolidine-2,4-dione
CID 79517290
sodium 4-prop-2-enylphenolate
CID 23693215

Frequently Asked Questions

What is the IUPAC name of 1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione (CID 67640355) is 1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione is C=CCc1ccc(N2CC(=O)CC2=O)cc1.
What is the InChIKey of 1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione?
The InChIKey is VGURCAOEMJPSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-3-10-4-6-11(7-5-10)14-9-12(15)8-13(14)16/h2,4-7H,1,3,8-9H2.
What are the key properties of 1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione?
1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione has a molecular weight of 215.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-2-enylphenyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 67640355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).