(E)-but-2-enedioic acid;formaldehyde

C5H6O5 — CID 88669172

IUPAC(E)-but-2-enedioic acid;formaldehyde
SMILESC=O.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C4H4O4.CH2O/c5-3(6)1-2-4(7)8;1-2/h1-2H,(H,5,6)(H,7,8);1H2/b2-1+;
InChIKeyRDWVBJSKXIUVEX-TYYBGVCCSA-N
MW146.10 g/mol
LogP-0.47
Rot. Bonds2

About (E)-but-2-enedioic acid;formaldehyde

(E)-but-2-enedioic acid;formaldehyde (PubChem CID 88669172) has the molecular formula C5H6O5 and a molecular weight of 146.10 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;formaldehyde.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;formaldehyde
PubChem CID88669172
Molecular FormulaC5H6O5
Molecular Weight146.10 g/mol
Exact Mass146.02
IUPAC Name(E)-but-2-enedioic acid;formaldehyde
SMILESC=O.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C4H4O4.CH2O/c5-3(6)1-2-4(7)8;1-2/h1-2H,(H,5,6)(H,7,8);1H2/b2-1+;
InChIKeyRDWVBJSKXIUVEX-TYYBGVCCSA-N
XLogP-0.47
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;4-oxohepta-2,5-dienedioic acid
CID 174386015
(Z)-but-2-enedioic acid;ethene;manganese
CID 54606396
sodium;(Z)-but-2-enedioic acid;ethene
CID 54602803
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(E)-but-2-enedioic acid;iron
CID 5478817
(Z)-but-2-enedioic acid;manganese
CID 87121555
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656
(Z)-but-2-enedioic acid;hydrate
CID 86620054
tris(but-2-enedioic acid);hydrate
CID 173409563
CID 76552400
CID 76552400
(Z)-but-2-enedioic acid;gold
CID 174837134

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;formaldehyde?
The IUPAC name of (E)-but-2-enedioic acid;formaldehyde (CID 88669172) is (E)-but-2-enedioic acid;formaldehyde.
What is the SMILES notation for (E)-but-2-enedioic acid;formaldehyde?
The canonical SMILES for (E)-but-2-enedioic acid;formaldehyde is C=O.O=C(O)/C=C/C(=O)O.
What is the InChIKey of (E)-but-2-enedioic acid;formaldehyde?
The InChIKey is RDWVBJSKXIUVEX-TYYBGVCCSA-N. The full InChI is InChI=1S/C4H4O4.CH2O/c5-3(6)1-2-4(7)8;1-2/h1-2H,(H,5,6)(H,7,8);1H2/b2-1+;.
What are the key properties of (E)-but-2-enedioic acid;formaldehyde?
(E)-but-2-enedioic acid;formaldehyde has a molecular weight of 146.10 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;formaldehyde is sourced from PubChem (CID 88669172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).