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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,6-dimethylphenyl)-4-methylpyrrole-2,5-dione
CID 68739689
3-methyl-4-phenylpyrrole-2,5-dione
CID 54119912
2-(2,6-diethylphenyl)-1,3,5-trimethylbenzene
CID 91665787
4-ethyl-2-sulfanylidene-1H-indol-3-one
CID 54173617
8-ethyl-4H-1,4-benzoxazin-3-one
CID 68908542
4-ethyl-1,2,3-trimethyl-1H-indol-1-ium iodide
CID 118253288
bis(4-ethyl-2,3-dimethyl-1H-inden-1-yl)silane
CID 173234594
bis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium
CID 173120638
3-methyl-4-(2-phenoxyphenyl)pyrrole-2,5-dione
CID 68742063
ethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione
CID 163393658
4-ethyl-3-methyl-1H-indene
CID 123532041
(1,3-dioxoisoindol-4-yl)carbamic acid
CID 69050787

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).