3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione

C15H19NO2 — CID 123938434

IUPAC3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)C(=O)N(c2ccccc2)C(=O)C1C
InChIInChI=1S/C15H19NO2/c1-10(2)15(4)11(3)13(17)16(14(15)18)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyRQHGULZENIQIIA-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.86
Rot. Bonds2

About 3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione

3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 123938434) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID123938434
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)C(=O)N(c2ccccc2)C(=O)C1C
InChIInChI=1S/C15H19NO2/c1-10(2)15(4)11(3)13(17)16(14(15)18)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyRQHGULZENIQIIA-UHFFFAOYSA-N
XLogP2.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione
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CID 139049260
(1aR,2aR,5aS,6aS)-1a,6a-dimethyl-4-phenyl-2,2a,5a,6-tetrahydrooxireno[2,3-f]isoindole-3,5-dione
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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 123938434) is 3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1(C)C(=O)N(c2ccccc2)C(=O)C1C.
What is the InChIKey of 3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is RQHGULZENIQIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(2)15(4)11(3)13(17)16(14(15)18)12-8-6-5-7-9-12/h5-11H,1-4H3.
What are the key properties of 3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione?
3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 245.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 123938434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).