3-tert-butyl-1-phenylpyrrolidine-2,5-dione

C14H17NO2 — CID 71096349

IUPAC3-tert-butyl-1-phenylpyrrolidine-2,5-dione
SMILESCC(C)(C)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C14H17NO2/c1-14(2,3)11-9-12(16)15(13(11)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyNGUCWAMKCDSZQA-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.61
Rot. Bonds1

About 3-tert-butyl-1-phenylpyrrolidine-2,5-dione

3-tert-butyl-1-phenylpyrrolidine-2,5-dione (PubChem CID 71096349) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-tert-butyl-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-phenylpyrrolidine-2,5-dione
PubChem CID71096349
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-tert-butyl-1-phenylpyrrolidine-2,5-dione
SMILESCC(C)(C)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C14H17NO2/c1-14(2,3)11-9-12(16)15(13(11)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyNGUCWAMKCDSZQA-UHFFFAOYSA-N
XLogP2.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-1-phenylpyrrolidine-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

Succinanil
CID 66519
N-(4-Methylphenyl)succinimide
CID 75335
3-Butyl-3-ethyl-1-phenylazetidine-2,4-dione
CID 20283207
Stk246934
CID 300678
N-(4-Fluorophenyl)succinimide
CID 670631
2,4-Azetidinedione, 3,3-diethyl-1-phenyl-
CID 139973
1-(3-Methylphenyl)pyrrolidine-2,5-dione
CID 5150707
N-(3-Trifluoromethylphenyl)succinimide
CID 203867
3-Ethyl-3-isobutyl-1-phenylazetidine-2,4-dione
CID 44626814
8-Phenyl-8-azaspiro[4.5]decane-7,9-dione
CID 1552638
1-Phenyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865487
1-(4-Tert-butylphenyl)-3-phenylpyrrolidine-2,5-dione
CID 2825989

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-phenylpyrrolidine-2,5-dione (CID 71096349) is 3-tert-butyl-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-phenylpyrrolidine-2,5-dione is CC(C)(C)C1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-tert-butyl-1-phenylpyrrolidine-2,5-dione?
The InChIKey is NGUCWAMKCDSZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2,3)11-9-12(16)15(13(11)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3.
What are the key properties of 3-tert-butyl-1-phenylpyrrolidine-2,5-dione?
3-tert-butyl-1-phenylpyrrolidine-2,5-dione has a molecular weight of 231.30 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 71096349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).