(Z)-1-hydroxy-1-oxopent-2-en-2-olate

C5H7O3- — CID 54687411

IUPAC(Z)-1-hydroxy-1-oxopent-2-en-2-olate
SMILESCC/C=C(\[O-])C(=O)O
InChIInChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h3,6H,2H2,1H3,(H,7,8)/p-1/b4-3-
InChIKeyIISXAOCGJOIGLD-ARJAWSKDSA-M
MW115.11 g/mol
LogP-0.27
Rot. Bonds2

About (Z)-1-hydroxy-1-oxopent-2-en-2-olate

(Z)-1-hydroxy-1-oxopent-2-en-2-olate (PubChem CID 54687411) has the molecular formula C5H7O3- and a molecular weight of 115.11 g/mol. Its IUPAC name is (Z)-1-hydroxy-1-oxopent-2-en-2-olate.

Molecular Properties

Compound Name(Z)-1-hydroxy-1-oxopent-2-en-2-olate
PubChem CID54687411
Molecular FormulaC5H7O3-
Molecular Weight115.11 g/mol
Exact Mass115.04
IUPAC Name(Z)-1-hydroxy-1-oxopent-2-en-2-olate
SMILESCC/C=C(\[O-])C(=O)O
InChIInChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h3,6H,2H2,1H3,(H,7,8)/p-1/b4-3-
InChIKeyIISXAOCGJOIGLD-ARJAWSKDSA-M
XLogP-0.27
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2-hydroxypent-2-enoic acid
CID 20977155
acetic acid;azane;(E)-hex-3-en-3-ol
CID 173148729
CID 158703292
CID 158703292
(E)-2-methylpent-2-enoate
CID 7006461
sodium 4-hydroxyhept-4-enoate
CID 88698086
2-nitropent-2-enoic acid
CID 150880149
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
(E)-2-(diethylamino)pent-2-enoate
CID 23617746
methanediimine;bis(2-methylpent-2-enoic acid)
CID 173345731
2-cyanopent-2-enoic acid
CID 53421663
2-(3-hydroxypropyl)pent-2-enoic acid
CID 88785343
(Z)-2-(2-methylpropyl)pent-2-enoic acid
CID 18516543

Frequently Asked Questions

What is the IUPAC name of (Z)-1-hydroxy-1-oxopent-2-en-2-olate?
The IUPAC name of (Z)-1-hydroxy-1-oxopent-2-en-2-olate (CID 54687411) is (Z)-1-hydroxy-1-oxopent-2-en-2-olate.
What is the SMILES notation for (Z)-1-hydroxy-1-oxopent-2-en-2-olate?
The canonical SMILES for (Z)-1-hydroxy-1-oxopent-2-en-2-olate is CC/C=C(\[O-])C(=O)O.
What is the InChIKey of (Z)-1-hydroxy-1-oxopent-2-en-2-olate?
The InChIKey is IISXAOCGJOIGLD-ARJAWSKDSA-M. The full InChI is InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h3,6H,2H2,1H3,(H,7,8)/p-1/b4-3-.
What are the key properties of (Z)-1-hydroxy-1-oxopent-2-en-2-olate?
(Z)-1-hydroxy-1-oxopent-2-en-2-olate has a molecular weight of 115.11 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-hydroxy-1-oxopent-2-en-2-olate is sourced from PubChem (CID 54687411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).