ethyl (Z)-2-hydroxy-4-oxopent-2-enoate

C7H10O4 — CID 5325621

IUPACethyl (Z)-2-hydroxy-4-oxopent-2-enoate
SMILESCCOC(=O)/C(O)=C/C(C)=O
InChIInChI=1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h4,9H,3H2,1-2H3/b6-4-
InChIKeyJTJFWJIHXKWLNS-XQRVVYSFSA-N
MW158.15 g/mol
LogP0.58
Rot. Bonds3

About ethyl (Z)-2-hydroxy-4-oxopent-2-enoate

ethyl (Z)-2-hydroxy-4-oxopent-2-enoate (PubChem CID 5325621) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is ethyl (Z)-2-hydroxy-4-oxopent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-hydroxy-4-oxopent-2-enoate
PubChem CID5325621
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Nameethyl (Z)-2-hydroxy-4-oxopent-2-enoate
SMILESCCOC(=O)/C(O)=C/C(C)=O
InChIInChI=1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h4,9H,3H2,1-2H3/b6-4-
InChIKeyJTJFWJIHXKWLNS-XQRVVYSFSA-N
XLogP0.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (Z)-2-hydroxy-4-oxopent-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl 4-oxopyran-2,6-dicarboxylate
CID 316274
6-Ethoxycarbonyl-3-hydroxy-4-oxo-pyran-2-carboxylic acid
CID 3010940
3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester
CID 3010941
3-Hydroxy-5-methyl-2,5-dihydrofuran-2-one
CID 12435924
(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl acetate
CID 12216388
5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester
CID 3010939
Diethyl 2-hydroxyfumarate
CID 54676712
Diethyl 2-Hydroxybut-2-enedioate
CID 54693037
Methyl 5-hydroxy-4-oxo-4H-pyran-2-carboxylate
CID 13773201
6-(ethoxycarbonyl)-4-oxo-4H-pyran-2-carboxylic acid
CID 13082032
(5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one
CID 11183026
Kyessfqxdakjmm-uhfffaoysa-
CID 21728707

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-hydroxy-4-oxopent-2-enoate?
The IUPAC name of ethyl (Z)-2-hydroxy-4-oxopent-2-enoate (CID 5325621) is ethyl (Z)-2-hydroxy-4-oxopent-2-enoate.
What is the SMILES notation for ethyl (Z)-2-hydroxy-4-oxopent-2-enoate?
The canonical SMILES for ethyl (Z)-2-hydroxy-4-oxopent-2-enoate is CCOC(=O)/C(O)=C/C(C)=O.
What is the InChIKey of ethyl (Z)-2-hydroxy-4-oxopent-2-enoate?
The InChIKey is JTJFWJIHXKWLNS-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h4,9H,3H2,1-2H3/b6-4-.
What are the key properties of ethyl (Z)-2-hydroxy-4-oxopent-2-enoate?
ethyl (Z)-2-hydroxy-4-oxopent-2-enoate has a molecular weight of 158.15 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-hydroxy-4-oxopent-2-enoate is sourced from PubChem (CID 5325621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).