3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione

C11H14N2O4 — CID 70244670

IUPAC3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione
SMILESC=CCC1CC(=O)NC1=O.O=C1CCC(=O)N1
InChIInChI=1S/C7H9NO2.C4H5NO2/c1-2-3-5-4-6(9)8-7(5)10;6-3-1-2-4(7)5-3/h2,5H,1,3-4H2,(H,8,9,10);1-2H2,(H,5,6,7)
InChIKeyCWZBRLHMSPBERE-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.35
Rot. Bonds2

About 3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione

3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione (PubChem CID 70244670) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione
PubChem CID70244670
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione
SMILESC=CCC1CC(=O)NC1=O.O=C1CCC(=O)N1
InChIInChI=1S/C7H9NO2.C4H5NO2/c1-2-3-5-4-6(9)8-7(5)10;6-3-1-2-4(7)5-3/h2,5H,1,3-4H2,(H,8,9,10);1-2H2,(H,5,6,7)
InChIKeyCWZBRLHMSPBERE-UHFFFAOYSA-N
XLogP-0.35
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione?
The IUPAC name of 3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione (CID 70244670) is 3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione.
What is the SMILES notation for 3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione?
The canonical SMILES for 3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione is C=CCC1CC(=O)NC1=O.O=C1CCC(=O)N1.
What is the InChIKey of 3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione?
The InChIKey is CWZBRLHMSPBERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.C4H5NO2/c1-2-3-5-4-6(9)8-7(5)10;6-3-1-2-4(7)5-3/h2,5H,1,3-4H2,(H,8,9,10);1-2H2,(H,5,6,7).
What are the key properties of 3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione?
3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione has a molecular weight of 238.24 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylpyrrolidine-2,5-dione;pyrrolidine-2,5-dione is sourced from PubChem (CID 70244670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).