(Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate

C10H12O7 — CID 174820193

IUPAC(Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCC1CO1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C6H8O3.C4H4O4/c1-2-6(7)9-4-5-3-8-5;5-3(6)1-2-4(7)8/h2,5H,1,3-4H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyMSUPECHJJUEOIY-BTJKTKAUSA-N
MW244.20 g/mol
LogP-0.17
Rot. Bonds5

About (Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate

(Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate (PubChem CID 174820193) has the molecular formula C10H12O7 and a molecular weight of 244.20 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate
PubChem CID174820193
Molecular FormulaC10H12O7
Molecular Weight244.20 g/mol
Exact Mass244.06
IUPAC Name(Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCC1CO1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C6H8O3.C4H4O4/c1-2-6(7)9-4-5-3-8-5;5-3(6)1-2-4(7)8/h2,5H,1,3-4H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyMSUPECHJJUEOIY-BTJKTKAUSA-N
XLogP-0.17
TPSA113.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate
CID 159926825
oxiran-2-ylmethoxycarbonyl prop-2-enoate
CID 174457272
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate
CID 87786721
oxiran-2-ylmethyl prop-2-enoate;3-propyloxirene-2-carboxylic acid
CID 158651798
2-[2-(oxiran-2-yl)ethylidene]pentanoic acid;oxiran-2-ylmethyl prop-2-enoate
CID 158801899
1,1-dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl prop-2-enoate
CID 157375556
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate
CID 139503569
butyl prop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87732224

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate?
The IUPAC name of (Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate (CID 174820193) is (Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate.
What is the SMILES notation for (Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate?
The canonical SMILES for (Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate is C=CC(=O)OCC1CO1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate?
The InChIKey is MSUPECHJJUEOIY-BTJKTKAUSA-N. The full InChI is InChI=1S/C6H8O3.C4H4O4/c1-2-6(7)9-4-5-3-8-5;5-3(6)1-2-4(7)8/h2,5H,1,3-4H2;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate?
(Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate has a molecular weight of 244.20 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate is sourced from PubChem (CID 174820193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).