(Z)-5-hydroxypent-4-ene-2,3-dione

C5H6O3 — CID 59781502

IUPAC(Z)-5-hydroxypent-4-ene-2,3-dione
SMILESCC(=O)C(=O)/C=C\O
InChIInChI=1S/C5H6O3/c1-4(7)5(8)2-3-6/h2-3,6H,1H3/b3-2-
InChIKeyKHZHIBRAQBIZGS-IHWYPQMZSA-N
MW114.10 g/mol
LogP0.22
Rot. Bonds2

About (Z)-5-hydroxypent-4-ene-2,3-dione

(Z)-5-hydroxypent-4-ene-2,3-dione (PubChem CID 59781502) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is (Z)-5-hydroxypent-4-ene-2,3-dione.

Molecular Properties

Compound Name(Z)-5-hydroxypent-4-ene-2,3-dione
PubChem CID59781502
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name(Z)-5-hydroxypent-4-ene-2,3-dione
SMILESCC(=O)C(=O)/C=C\O
InChIInChI=1S/C5H6O3/c1-4(7)5(8)2-3-6/h2-3,6H,1H3/b3-2-
InChIKeyKHZHIBRAQBIZGS-IHWYPQMZSA-N
XLogP0.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-hydroxybut-3-en-2-one
CID 6243832
2-Butenedial, 2-hydroxy-
CID 5492050
Oxymethylenmethylaethylketon
CID 12637148
alpha-Hydroxyketopentaene
CID 21768476
1-Hydroxymethylene-2-pentanone
CID 72747324
2-Hydroxyvinyl ketone
CID 86216687
Oxyvinyl ketone
CID 88375564
Hydroxybutenedial
CID 89253510
(Z)-1-hydroxy-4,4-dimethylpent-1-en-3-one
CID 21769273
(Z)-6-hydroxyhex-5-en-3-one
CID 91807089
3,4-Dihydroxy-2,4-hexadiene-1,6-dione
CID 129739343
4-Hydroxybut-3-en-2-one
CID 164758

Frequently Asked Questions

What is the IUPAC name of (Z)-5-hydroxypent-4-ene-2,3-dione?
The IUPAC name of (Z)-5-hydroxypent-4-ene-2,3-dione (CID 59781502) is (Z)-5-hydroxypent-4-ene-2,3-dione.
What is the SMILES notation for (Z)-5-hydroxypent-4-ene-2,3-dione?
The canonical SMILES for (Z)-5-hydroxypent-4-ene-2,3-dione is CC(=O)C(=O)/C=C\O.
What is the InChIKey of (Z)-5-hydroxypent-4-ene-2,3-dione?
The InChIKey is KHZHIBRAQBIZGS-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H6O3/c1-4(7)5(8)2-3-6/h2-3,6H,1H3/b3-2-.
What are the key properties of (Z)-5-hydroxypent-4-ene-2,3-dione?
(Z)-5-hydroxypent-4-ene-2,3-dione has a molecular weight of 114.10 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-hydroxypent-4-ene-2,3-dione is sourced from PubChem (CID 59781502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).