(2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride

C10H14ClNO5 — CID 88721873

IUPAC(2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride
SMILESCCC(=O)Cl.CCC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C7H9NO4.C3H5ClO/c1-2-6(10)12-4-3-5(9)8-7(4)11;1-2-3(4)5/h4H,2-3H2,1H3,(H,8,9,11);2H2,1H3
InChIKeyUGECZFBWSRXJBI-UHFFFAOYSA-N
MW263.68 g/mol
LogP0.52
Rot. Bonds3

About (2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride

(2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride (PubChem CID 88721873) has the molecular formula C10H14ClNO5 and a molecular weight of 263.68 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride
PubChem CID88721873
Molecular FormulaC10H14ClNO5
Molecular Weight263.68 g/mol
Exact Mass263.06
IUPAC Name(2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride
SMILESCCC(=O)Cl.CCC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C7H9NO4.C3H5ClO/c1-2-6(10)12-4-3-5(9)8-7(4)11;1-2-3(4)5/h4H,2-3H2,1H3,(H,8,9,11);2H2,1H3
InChIKeyUGECZFBWSRXJBI-UHFFFAOYSA-N
XLogP0.52
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride (CID 88721873) is (2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride is CCC(=O)Cl.CCC(=O)OC1CC(=O)NC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride?
The InChIKey is UGECZFBWSRXJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4.C3H5ClO/c1-2-6(10)12-4-3-5(9)8-7(4)11;1-2-3(4)5/h4H,2-3H2,1H3,(H,8,9,11);2H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride?
(2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride has a molecular weight of 263.68 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride is sourced from PubChem (CID 88721873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).