3-(4-propylphenyl)pyrrole-2,5-dione

C13H13NO2 — CID 82113670

IUPAC3-(4-propylphenyl)pyrrole-2,5-dione
SMILESCCCc1ccc(C2=CC(=O)NC2=O)cc1
InChIInChI=1S/C13H13NO2/c1-2-3-9-4-6-10(7-5-9)11-8-12(15)14-13(11)16/h4-8H,2-3H2,1H3,(H,14,15,16)
InChIKeyRZGKEGPYWSQZMP-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.68
Rot. Bonds3

About 3-(4-propylphenyl)pyrrole-2,5-dione

3-(4-propylphenyl)pyrrole-2,5-dione (PubChem CID 82113670) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(4-propylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-propylphenyl)pyrrole-2,5-dione
PubChem CID82113670
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-(4-propylphenyl)pyrrole-2,5-dione
SMILESCCCc1ccc(C2=CC(=O)NC2=O)cc1
InChIInChI=1S/C13H13NO2/c1-2-3-9-4-6-10(7-5-9)11-8-12(15)14-13(11)16/h4-8H,2-3H2,1H3,(H,14,15,16)
InChIKeyRZGKEGPYWSQZMP-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-propylphenyl)-3H-1,3-thiazol-2-one
CID 43286737
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
1-fluoro-4-propylbenzene
CID 2737505
3-butylpyrrole-2,5-dione
CID 159512503
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
4-(4-propylphenyl)-1H-pyridazin-6-one
CID 106517178
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene
CID 174424801

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-propylphenyl)pyrrole-2,5-dione (CID 82113670) is 3-(4-propylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-propylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-propylphenyl)pyrrole-2,5-dione is CCCc1ccc(C2=CC(=O)NC2=O)cc1.
What is the InChIKey of 3-(4-propylphenyl)pyrrole-2,5-dione?
The InChIKey is RZGKEGPYWSQZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-3-9-4-6-10(7-5-9)11-8-12(15)14-13(11)16/h4-8H,2-3H2,1H3,(H,14,15,16).
What are the key properties of 3-(4-propylphenyl)pyrrole-2,5-dione?
3-(4-propylphenyl)pyrrole-2,5-dione has a molecular weight of 215.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 82113670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).