1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione

C14H17NO2 — CID 79516936

IUPAC1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione
SMILESCC(C)c1ccc(CN2CC(=O)CC2=O)cc1
InChIInChI=1S/C14H17NO2/c1-10(2)12-5-3-11(4-6-12)8-15-9-13(16)7-14(15)17/h3-6,10H,7-9H2,1-2H3
InChIKeyWUHVBUKUSMXZOW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.11
Rot. Bonds3

About 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione

1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione (PubChem CID 79516936) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione
PubChem CID79516936
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione
SMILESCC(C)c1ccc(CN2CC(=O)CC2=O)cc1
InChIInChI=1S/C14H17NO2/c1-10(2)12-5-3-11(4-6-12)8-15-9-13(16)7-14(15)17/h3-6,10H,7-9H2,1-2H3
InChIKeyWUHVBUKUSMXZOW-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
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 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione?
The IUPAC name of 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione (CID 79516936) is 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione?
The canonical SMILES for 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione is CC(C)c1ccc(CN2CC(=O)CC2=O)cc1.
What is the InChIKey of 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione?
The InChIKey is WUHVBUKUSMXZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)12-5-3-11(4-6-12)8-15-9-13(16)7-14(15)17/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione?
1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione has a molecular weight of 231.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 79516936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).