3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione

C16H19NO2 — CID 58230224

IUPAC3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione
SMILESCC1=C(CC(C)C)C(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C16H19NO2/c1-10(2)9-14-12(4)15(18)17(16(14)19)13-7-5-11(3)6-8-13/h5-8,10H,9H2,1-4H3
InChIKeyNCBIAQQFOFDNLA-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.23
Rot. Bonds3

About 3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione

3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione (PubChem CID 58230224) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione
PubChem CID58230224
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione
SMILESCC1=C(CC(C)C)C(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C16H19NO2/c1-10(2)9-14-12(4)15(18)17(16(14)19)13-7-5-11(3)6-8-13/h5-8,10H,9H2,1-4H3
InChIKeyNCBIAQQFOFDNLA-UHFFFAOYSA-N
XLogP3.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.23
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-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione (CID 58230224) is 3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione is CC1=C(CC(C)C)C(=O)N(c2ccc(C)cc2)C1=O.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione?
The InChIKey is NCBIAQQFOFDNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10(2)9-14-12(4)15(18)17(16(14)19)13-7-5-11(3)6-8-13/h5-8,10H,9H2,1-4H3.
What are the key properties of 3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione?
3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione has a molecular weight of 257.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 58230224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).