3-pent-4-enoylpyrrolidine-2,5-dione

C9H11NO3 — CID 122423754

IUPAC3-pent-4-enoylpyrrolidine-2,5-dione
SMILESC=CCCC(=O)C1CC(=O)NC1=O
InChIInChI=1S/C9H11NO3/c1-2-3-4-7(11)6-5-8(12)10-9(6)13/h2,6H,1,3-5H2,(H,10,12,13)
InChIKeyYXYZNLGSNFRZNW-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.18
Rot. Bonds4

About 3-pent-4-enoylpyrrolidine-2,5-dione

3-pent-4-enoylpyrrolidine-2,5-dione (PubChem CID 122423754) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-pent-4-enoylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-pent-4-enoylpyrrolidine-2,5-dione
PubChem CID122423754
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-pent-4-enoylpyrrolidine-2,5-dione
SMILESC=CCCC(=O)C1CC(=O)NC1=O
InChIInChI=1S/C9H11NO3/c1-2-3-4-7(11)6-5-8(12)10-9(6)13/h2,6H,1,3-5H2,(H,10,12,13)
InChIKeyYXYZNLGSNFRZNW-UHFFFAOYSA-N
XLogP0.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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-pent-4-enoylpyrrolidine-2,5-dione?
The IUPAC name of 3-pent-4-enoylpyrrolidine-2,5-dione (CID 122423754) is 3-pent-4-enoylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-pent-4-enoylpyrrolidine-2,5-dione?
The canonical SMILES for 3-pent-4-enoylpyrrolidine-2,5-dione is C=CCCC(=O)C1CC(=O)NC1=O.
What is the InChIKey of 3-pent-4-enoylpyrrolidine-2,5-dione?
The InChIKey is YXYZNLGSNFRZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-3-4-7(11)6-5-8(12)10-9(6)13/h2,6H,1,3-5H2,(H,10,12,13).
What are the key properties of 3-pent-4-enoylpyrrolidine-2,5-dione?
3-pent-4-enoylpyrrolidine-2,5-dione has a molecular weight of 181.19 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-enoylpyrrolidine-2,5-dione is sourced from PubChem (CID 122423754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).