3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione

C14H13NO2 — CID 20545219

IUPAC3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione
SMILESC=C(C)c1ccc(N2C(=O)C=C(C)C2=O)cc1
InChIInChI=1S/C14H13NO2/c1-9(2)11-4-6-12(7-5-11)15-13(16)8-10(3)14(15)17/h4-8H,1H2,2-3H3
InChIKeyKJOGETYVJMVFOJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.54
Rot. Bonds2

About 3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione

3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione (PubChem CID 20545219) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione
PubChem CID20545219
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione
SMILESC=C(C)c1ccc(N2C(=O)C=C(C)C2=O)cc1
InChIInChI=1S/C14H13NO2/c1-9(2)11-4-6-12(7-5-11)15-13(16)8-10(3)14(15)17/h4-8H,1H2,2-3H3
InChIKeyKJOGETYVJMVFOJ-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione (CID 20545219) is 3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione is C=C(C)c1ccc(N2C(=O)C=C(C)C2=O)cc1.
What is the InChIKey of 3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione?
The InChIKey is KJOGETYVJMVFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9(2)11-4-6-12(7-5-11)15-13(16)8-10(3)14(15)17/h4-8H,1H2,2-3H3.
What are the key properties of 3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione?
3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione has a molecular weight of 227.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 20545219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).