Diroximel fumarate

C₁₁H₁₃NO₆CAS 1577222-14-0255.23 g/mol

Open in Covalent MOL file

Alkene Amide Ester Lactam

Properties

Molecular formula: C₁₁H₁₃NO₆
Molar mass: 255.23 g/mol
Exact mass: 255.0743 Da
logP: -0.59Crippen estimate
Polar surface area: 90.0 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 5
Double bonds: EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1577222-14-0

SMILES

COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O

InChIKey

YIMYDTCOUQIDMT-SNAWJCMRSA-N

InChI

InChI=1S/C11H13NO6/c1-17-10(15)4-5-11(16)18-7-6-12-8(13)2-3-9(12)14/h4-5H,2-3,6-7H2,1H3/b5-4+

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Names and synonyms

1 names

4-O-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate

Work with Diroximel fumarate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl maleate624-48-648 % similar Dimethyl fumarate624-49-748 % similar 1,4-Dipropyl (2Z)-2-butenedioate2432-63-542 % similar Methyl crotonate623-43-840 % similar Dibutyl fumarate105-75-939 % similar Dibutyl maleate105-76-039 % similar Monomethyl fumarate2756-87-839 % similar Monomethyl maleate3052-50-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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