3-methyl-1-propylpyrrolidine-2,5-dione

C8H13NO2 — CID 20696287

IUPAC3-methyl-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C8H13NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h6H,3-5H2,1-2H3
InChIKeySTRMSTHRCSNSNB-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.79
Rot. Bonds2

About 3-methyl-1-propylpyrrolidine-2,5-dione

3-methyl-1-propylpyrrolidine-2,5-dione (PubChem CID 20696287) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-methyl-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-propylpyrrolidine-2,5-dione
PubChem CID20696287
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-methyl-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C8H13NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h6H,3-5H2,1-2H3
InChIKeySTRMSTHRCSNSNB-UHFFFAOYSA-N
XLogP0.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-propylpyrrolidine-2,5-dione (CID 20696287) is 3-methyl-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(C)C1=O.
What is the InChIKey of 3-methyl-1-propylpyrrolidine-2,5-dione?
The InChIKey is STRMSTHRCSNSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h6H,3-5H2,1-2H3.
What are the key properties of 3-methyl-1-propylpyrrolidine-2,5-dione?
3-methyl-1-propylpyrrolidine-2,5-dione has a molecular weight of 155.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 20696287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).