(Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid

C10H12O6 — CID 158960981

IUPAC(Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid
SMILESCC(=O)/C=C/C(=O)O.CC(=O)/C=C\C(=O)O
InChIInChI=1S/2C5H6O3/c2*1-4(6)2-3-5(7)8/h2*2-3H,1H3,(H,7,8)/b3-2+;3-2-
InChIKeyJMPSHMPZUMXOIK-HVMWSGSDSA-N
MW228.20 g/mol
LogP0.43
Rot. Bonds4

About (Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid

(Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid (PubChem CID 158960981) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is (Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid
PubChem CID158960981
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name(Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid
SMILESCC(=O)/C=C/C(=O)O.CC(=O)/C=C\C(=O)O
InChIInChI=1S/2C5H6O3/c2*1-4(6)2-3-5(7)8/h2*2-3H,1H3,(H,7,8)/b3-2+;3-2-
InChIKeyJMPSHMPZUMXOIK-HVMWSGSDSA-N
XLogP0.43
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-oxopent-2-enoic acid;hydrochloride
CID 174728720
(E)-hex-3-ene-2,5-dione
CID 5363639
(E)-but-2-enedioic acid;bis(2-methylprop-1-ene)
CID 22055121
acetic acid;but-2-enedioic acid;formic acid
CID 160941999
(Z)-but-2-enedioic acid;neodymium
CID 87072249
(Z)-but-2-enedioic acid;silver
CID 11002022
CID 76552400
CID 76552400
(Z)-but-2-enedioic acid;gold
CID 174837134
azane;bis((E)-but-2-enedioic acid)
CID 87996706
but-2-enedioic acid;dihydrate
CID 76541248
(E)-but-2-enedioic acid;iron
CID 5478817
CID 87073039
CID 87073039

Frequently Asked Questions

What is the IUPAC name of (Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid?
The IUPAC name of (Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid (CID 158960981) is (Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid.
What is the SMILES notation for (Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid?
The canonical SMILES for (Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid is CC(=O)/C=C/C(=O)O.CC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid?
The InChIKey is JMPSHMPZUMXOIK-HVMWSGSDSA-N. The full InChI is InChI=1S/2C5H6O3/c2*1-4(6)2-3-5(7)8/h2*2-3H,1H3,(H,7,8)/b3-2+;3-2-.
What are the key properties of (Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid?
(Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid has a molecular weight of 228.20 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid is sourced from PubChem (CID 158960981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).