1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione

C15H17NO2 — CID 14449115

IUPAC1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(c2c(CC)cccc2CC)C1=O
InChIInChI=1S/C15H17NO2/c1-4-11-7-6-8-12(5-2)14(11)16-13(17)9-10(3)15(16)18/h6-8H,3-5,9H2,1-2H3
InChIKeyUBSRQLVHYHSVQG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.63
Rot. Bonds3

About 1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione

1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione (PubChem CID 14449115) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione
PubChem CID14449115
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(c2c(CC)cccc2CC)C1=O
InChIInChI=1S/C15H17NO2/c1-4-11-7-6-8-12(5-2)14(11)16-13(17)9-10(3)15(16)18/h6-8H,3-5,9H2,1-2H3
InChIKeyUBSRQLVHYHSVQG-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione?
The IUPAC name of 1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione (CID 14449115) is 1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione is C=C1CC(=O)N(c2c(CC)cccc2CC)C1=O.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione?
The InChIKey is UBSRQLVHYHSVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-11-7-6-8-12(5-2)14(11)16-13(17)9-10(3)15(16)18/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione?
1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione has a molecular weight of 243.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 14449115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).