1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate

C12H15NO6 — CID 118183207

IUPAC1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)ON2C(=O)CCC2=O)CCC1
InChIInChI=1S/C12H15NO6/c1-2-18-10(16)12(6-3-7-12)11(17)19-13-8(14)4-5-9(13)15/h2-7H2,1H3
InChIKeyKWGZYUGAHQWPDD-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.33
Rot. Bonds4

About 1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate

1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate (PubChem CID 118183207) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is 1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate.

Molecular Properties

Compound Name1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate
PubChem CID118183207
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)ON2C(=O)CCC2=O)CCC1
InChIInChI=1S/C12H15NO6/c1-2-18-10(16)12(6-3-7-12)11(17)19-13-8(14)4-5-9(13)15/h2-7H2,1H3
InChIKeyKWGZYUGAHQWPDD-UHFFFAOYSA-N
XLogP0.33
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
CID 171843630
ethyl 1-carbonochloridoylcyclobutane-1-carboxylate
CID 19096810
ethyl 1-carbonobromidoylcyclobutane-1-carboxylate
CID 20826021
diethyl 6-oxooxane-3,3-dicarboxylate
CID 172560862
diethyl 1-methylpiperidine-4,4-dicarboxylate
CID 121001338
ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate
CID 129073639
diethyl 4-methylcyclohept-3-ene-1,1-dicarboxylate
CID 13423304
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
ethyl 1-carbonochloridoylcyclohexane-1-carboxylate
CID 23208979
diethyl 6,8-dioxobicyclo[3.2.2]nonane-1,5-dicarboxylate
CID 2825180
diethyl (4E)-cyclotetradec-4-ene-1,1-dicarboxylate
CID 11515597
1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate
CID 151131649

Frequently Asked Questions

What is the IUPAC name of 1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate?
The IUPAC name of 1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate (CID 118183207) is 1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate.
What is the SMILES notation for 1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate?
The canonical SMILES for 1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)ON2C(=O)CCC2=O)CCC1.
What is the InChIKey of 1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate?
The InChIKey is KWGZYUGAHQWPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-2-18-10(16)12(6-3-7-12)11(17)19-13-8(14)4-5-9(13)15/h2-7H2,1H3.
What are the key properties of 1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate?
1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate has a molecular weight of 269.25 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate is sourced from PubChem (CID 118183207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).