1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione

C9H11NO4 — CID 140829682

IUPAC1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione
SMILESCCC=CC(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C9H11NO4/c1-2-3-4-7(11)6-5-8(12)10(14)9(6)13/h3-4,6,14H,2,5H2,1H3
InChIKeyDUZIGTMFBTZQMG-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.29
Rot. Bonds3

About 1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione

1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione (PubChem CID 140829682) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione
PubChem CID140829682
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione
SMILESCCC=CC(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C9H11NO4/c1-2-3-4-7(11)6-5-8(12)10(14)9(6)13/h3-4,6,14H,2,5H2,1H3
InChIKeyDUZIGTMFBTZQMG-UHFFFAOYSA-N
XLogP0.29
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione?
The IUPAC name of 1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione (CID 140829682) is 1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione?
The canonical SMILES for 1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione is CCC=CC(=O)C1CC(=O)N(O)C1=O.
What is the InChIKey of 1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione?
The InChIKey is DUZIGTMFBTZQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-2-3-4-7(11)6-5-8(12)10(14)9(6)13/h3-4,6,14H,2,5H2,1H3.
What are the key properties of 1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione?
1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione has a molecular weight of 197.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-pent-2-enoylpyrrolidine-2,5-dione is sourced from PubChem (CID 140829682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).