(Z)-2-hydroxy-4-oxopent-2-enoic acid

C5H6O4 — CID 6508940

IUPAC(Z)-2-hydroxy-4-oxopent-2-enoic acid
SMILESCC(=O)/C=C(\O)C(=O)O
InChIInChI=1S/C5H6O4/c1-3(6)2-4(7)5(8)9/h2,7H,1H3,(H,8,9)/b4-2-
InChIKeyKRVSJZNRBRLLBG-RQOWECAXSA-N
MW130.10 g/mol
LogP0.10
Rot. Bonds2

About (Z)-2-hydroxy-4-oxopent-2-enoic acid

(Z)-2-hydroxy-4-oxopent-2-enoic acid (PubChem CID 6508940) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is (Z)-2-hydroxy-4-oxopent-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxy-4-oxopent-2-enoic acid
PubChem CID6508940
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name(Z)-2-hydroxy-4-oxopent-2-enoic acid
SMILESCC(=O)/C=C(\O)C(=O)O
InChIInChI=1S/C5H6O4/c1-3(6)2-4(7)5(8)9/h2,7H,1H3,(H,8,9)/b4-2-
InChIKeyKRVSJZNRBRLLBG-RQOWECAXSA-N
XLogP0.10
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-4-oxopent-2-enoic acid?
The IUPAC name of (Z)-2-hydroxy-4-oxopent-2-enoic acid (CID 6508940) is (Z)-2-hydroxy-4-oxopent-2-enoic acid.
What is the SMILES notation for (Z)-2-hydroxy-4-oxopent-2-enoic acid?
The canonical SMILES for (Z)-2-hydroxy-4-oxopent-2-enoic acid is CC(=O)/C=C(\O)C(=O)O.
What is the InChIKey of (Z)-2-hydroxy-4-oxopent-2-enoic acid?
The InChIKey is KRVSJZNRBRLLBG-RQOWECAXSA-N. The full InChI is InChI=1S/C5H6O4/c1-3(6)2-4(7)5(8)9/h2,7H,1H3,(H,8,9)/b4-2-.
What are the key properties of (Z)-2-hydroxy-4-oxopent-2-enoic acid?
(Z)-2-hydroxy-4-oxopent-2-enoic acid has a molecular weight of 130.10 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-4-oxopent-2-enoic acid is sourced from PubChem (CID 6508940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).