3-(2-propan-2-ylphenyl)pyrrole-2,5-dione

C13H13NO2 — CID 106695005

IUPAC3-(2-propan-2-ylphenyl)pyrrole-2,5-dione
SMILESCC(C)c1ccccc1C1=CC(=O)NC1=O
InChIInChI=1S/C13H13NO2/c1-8(2)9-5-3-4-6-10(9)11-7-12(15)14-13(11)16/h3-8H,1-2H3,(H,14,15,16)
InChIKeyACKIUUPVJXYDRG-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.85
Rot. Bonds2

About 3-(2-propan-2-ylphenyl)pyrrole-2,5-dione

3-(2-propan-2-ylphenyl)pyrrole-2,5-dione (PubChem CID 106695005) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(2-propan-2-ylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-propan-2-ylphenyl)pyrrole-2,5-dione
PubChem CID106695005
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-(2-propan-2-ylphenyl)pyrrole-2,5-dione
SMILESCC(C)c1ccccc1C1=CC(=O)NC1=O
InChIInChI=1S/C13H13NO2/c1-8(2)9-5-3-4-6-10(9)11-7-12(15)14-13(11)16/h3-8H,1-2H3,(H,14,15,16)
InChIKeyACKIUUPVJXYDRG-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
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-(2-propan-2-ylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2-propan-2-ylphenyl)pyrrole-2,5-dione (CID 106695005) is 3-(2-propan-2-ylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-propan-2-ylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-propan-2-ylphenyl)pyrrole-2,5-dione is CC(C)c1ccccc1C1=CC(=O)NC1=O.
What is the InChIKey of 3-(2-propan-2-ylphenyl)pyrrole-2,5-dione?
The InChIKey is ACKIUUPVJXYDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8(2)9-5-3-4-6-10(9)11-7-12(15)14-13(11)16/h3-8H,1-2H3,(H,14,15,16).
What are the key properties of 3-(2-propan-2-ylphenyl)pyrrole-2,5-dione?
3-(2-propan-2-ylphenyl)pyrrole-2,5-dione has a molecular weight of 215.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 106695005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).