3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione

C17H21NO2 — CID 67403997

IUPAC3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
SMILESCc1cc(C2CC2)cc(C)c1C1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C17H21NO2/c1-9-7-12(11-5-6-11)8-10(2)13(9)14-15(19)17(3,4)18-16(14)20/h7-8,11,14H,5-6H2,1-4H3,(H,18,20)
InChIKeyHXCZJMYTFUGCQL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.74
Rot. Bonds2

About 3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione

3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione (PubChem CID 67403997) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
PubChem CID67403997
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
SMILESCc1cc(C2CC2)cc(C)c1C1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C17H21NO2/c1-9-7-12(11-5-6-11)8-10(2)13(9)14-15(19)17(3,4)18-16(14)20/h7-8,11,14H,5-6H2,1-4H3,(H,18,20)
InChIKeyHXCZJMYTFUGCQL-UHFFFAOYSA-N
XLogP2.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione?
The IUPAC name of 3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione (CID 67403997) is 3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione.
What is the SMILES notation for 3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione?
The canonical SMILES for 3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione is Cc1cc(C2CC2)cc(C)c1C1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione?
The InChIKey is HXCZJMYTFUGCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-9-7-12(11-5-6-11)8-10(2)13(9)14-15(19)17(3,4)18-16(14)20/h7-8,11,14H,5-6H2,1-4H3,(H,18,20).
What are the key properties of 3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione?
3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione has a molecular weight of 271.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione is sourced from PubChem (CID 67403997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).