2,5-dioxopyrrolidine-1-carbonyl chloride

C5H4ClNO3 — CID 45081360

IUPAC2,5-dioxopyrrolidine-1-carbonyl chloride
SMILESO=C(Cl)N1C(=O)CCC1=O
InChIInChI=1S/C5H4ClNO3/c6-5(10)7-3(8)1-2-4(7)9/h1-2H2
InChIKeyLHBRJNYLLZOROE-UHFFFAOYSA-N
MW161.54 g/mol
LogP0.49
Rot. Bonds

About 2,5-dioxopyrrolidine-1-carbonyl chloride

2,5-dioxopyrrolidine-1-carbonyl chloride (PubChem CID 45081360) has the molecular formula C5H4ClNO3 and a molecular weight of 161.54 g/mol. Its IUPAC name is 2,5-dioxopyrrolidine-1-carbonyl chloride.

Molecular Properties

Compound Name2,5-dioxopyrrolidine-1-carbonyl chloride
PubChem CID45081360
Molecular FormulaC5H4ClNO3
Molecular Weight161.54 g/mol
Exact Mass160.99
IUPAC Name2,5-dioxopyrrolidine-1-carbonyl chloride
SMILESO=C(Cl)N1C(=O)CCC1=O
InChIInChI=1S/C5H4ClNO3/c6-5(10)7-3(8)1-2-4(7)9/h1-2H2
InChIKeyLHBRJNYLLZOROE-UHFFFAOYSA-N
XLogP0.49
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.54
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxopyrrolidine-1-carbonyl chloride?
The IUPAC name of 2,5-dioxopyrrolidine-1-carbonyl chloride (CID 45081360) is 2,5-dioxopyrrolidine-1-carbonyl chloride.
What is the SMILES notation for 2,5-dioxopyrrolidine-1-carbonyl chloride?
The canonical SMILES for 2,5-dioxopyrrolidine-1-carbonyl chloride is O=C(Cl)N1C(=O)CCC1=O.
What is the InChIKey of 2,5-dioxopyrrolidine-1-carbonyl chloride?
The InChIKey is LHBRJNYLLZOROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO3/c6-5(10)7-3(8)1-2-4(7)9/h1-2H2.
What are the key properties of 2,5-dioxopyrrolidine-1-carbonyl chloride?
2,5-dioxopyrrolidine-1-carbonyl chloride has a molecular weight of 161.54 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxopyrrolidine-1-carbonyl chloride is sourced from PubChem (CID 45081360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).