1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione

C13H11NO2 — CID 70465169

IUPAC1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione
SMILESC=Cc1cccc(C)c1N1C(=O)C=CC1=O
InChIInChI=1S/C13H11NO2/c1-3-10-6-4-5-9(2)13(10)14-11(15)7-8-12(14)16/h3-8H,1H2,2H3
InChIKeyKIFBVODZHXOXDL-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.07
Rot. Bonds2

About 1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione

1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione (PubChem CID 70465169) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione
PubChem CID70465169
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione
SMILESC=Cc1cccc(C)c1N1C(=O)C=CC1=O
InChIInChI=1S/C13H11NO2/c1-3-10-6-4-5-9(2)13(10)14-11(15)7-8-12(14)16/h3-8H,1H2,2H3
InChIKeyKIFBVODZHXOXDL-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.07
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 1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione (CID 70465169) is 1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione is C=Cc1cccc(C)c1N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione?
The InChIKey is KIFBVODZHXOXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-3-10-6-4-5-9(2)13(10)14-11(15)7-8-12(14)16/h3-8H,1H2,2H3.
What are the key properties of 1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione?
1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione has a molecular weight of 213.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 70465169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).