1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione

C10H15NO3 — CID 20569171

IUPAC1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione
SMILESCCCC1CC(=O)N(CC2CO2)C1=O
InChIInChI=1S/C10H15NO3/c1-2-3-7-4-9(12)11(10(7)13)5-8-6-14-8/h7-8H,2-6H2,1H3
InChIKeyQBUXRIUNFDMSAK-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.56
Rot. Bonds4

About 1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione

1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione (PubChem CID 20569171) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione
PubChem CID20569171
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione
SMILESCCCC1CC(=O)N(CC2CO2)C1=O
InChIInChI=1S/C10H15NO3/c1-2-3-7-4-9(12)11(10(7)13)5-8-6-14-8/h7-8H,2-6H2,1H3
InChIKeyQBUXRIUNFDMSAK-UHFFFAOYSA-N
XLogP0.56
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione?
The IUPAC name of 1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione (CID 20569171) is 1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione is CCCC1CC(=O)N(CC2CO2)C1=O.
What is the InChIKey of 1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione?
The InChIKey is QBUXRIUNFDMSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-7-4-9(12)11(10(7)13)5-8-6-14-8/h7-8H,2-6H2,1H3.
What are the key properties of 1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione?
1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione has a molecular weight of 197.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 20569171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).