5-methyl-1-propan-2-ylpyrrolidine-2,4-dione

C8H13NO2 — CID 59298741

IUPAC5-methyl-1-propan-2-ylpyrrolidine-2,4-dione
SMILESCC(C)N1C(=O)CC(=O)C1C
InChIInChI=1S/C8H13NO2/c1-5(2)9-6(3)7(10)4-8(9)11/h5-6H,4H2,1-3H3
InChIKeyDJPLPSSNENBZNH-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.58
Rot. Bonds1

About 5-methyl-1-propan-2-ylpyrrolidine-2,4-dione

5-methyl-1-propan-2-ylpyrrolidine-2,4-dione (PubChem CID 59298741) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-methyl-1-propan-2-ylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-propan-2-ylpyrrolidine-2,4-dione
PubChem CID59298741
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-methyl-1-propan-2-ylpyrrolidine-2,4-dione
SMILESCC(C)N1C(=O)CC(=O)C1C
InChIInChI=1S/C8H13NO2/c1-5(2)9-6(3)7(10)4-8(9)11/h5-6H,4H2,1-3H3
InChIKeyDJPLPSSNENBZNH-UHFFFAOYSA-N
XLogP0.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.58
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 5-methyl-1-propan-2-ylpyrrolidine-2,4-dione?
The IUPAC name of 5-methyl-1-propan-2-ylpyrrolidine-2,4-dione (CID 59298741) is 5-methyl-1-propan-2-ylpyrrolidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-propan-2-ylpyrrolidine-2,4-dione?
The canonical SMILES for 5-methyl-1-propan-2-ylpyrrolidine-2,4-dione is CC(C)N1C(=O)CC(=O)C1C.
What is the InChIKey of 5-methyl-1-propan-2-ylpyrrolidine-2,4-dione?
The InChIKey is DJPLPSSNENBZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)9-6(3)7(10)4-8(9)11/h5-6H,4H2,1-3H3.
What are the key properties of 5-methyl-1-propan-2-ylpyrrolidine-2,4-dione?
5-methyl-1-propan-2-ylpyrrolidine-2,4-dione has a molecular weight of 155.20 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-ylpyrrolidine-2,4-dione is sourced from PubChem (CID 59298741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).