3-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione

C15H17NO2 — CID 68741326

IUPAC3-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione
SMILESCCc1cccc(CC)c1C1=C(C)C(=O)NC1=O
InChIInChI=1S/C15H17NO2/c1-4-10-7-6-8-11(5-2)13(10)12-9(3)14(17)16-15(12)18/h6-8H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyDZYODKANUGQHLL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.24
Rot. Bonds3

About 3-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione

3-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione (PubChem CID 68741326) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione
PubChem CID68741326
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione
SMILESCCc1cccc(CC)c1C1=C(C)C(=O)NC1=O
InChIInChI=1S/C15H17NO2/c1-4-10-7-6-8-11(5-2)13(10)12-9(3)14(17)16-15(12)18/h6-8H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyDZYODKANUGQHLL-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.24
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-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione?
The IUPAC name of 3-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione (CID 68741326) is 3-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione is CCc1cccc(CC)c1C1=C(C)C(=O)NC1=O.
What is the InChIKey of 3-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione?
The InChIKey is DZYODKANUGQHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-10-7-6-8-11(5-2)13(10)12-9(3)14(17)16-15(12)18/h6-8H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of 3-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione?
3-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione has a molecular weight of 243.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethylphenyl)-4-methylpyrrole-2,5-dione is sourced from PubChem (CID 68741326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).