ethyl (Z)-pent-2-en-4-ynoate

C7H8O2 — CID 10887897

IUPACethyl (Z)-pent-2-en-4-ynoate
SMILESC#C/C=C\C(=O)OCC
InChIInChI=1S/C7H8O2/c1-3-5-6-7(8)9-4-2/h1,5-6H,4H2,2H3/b6-5-
InChIKeyHWZIPXLMNOMOJA-WAYWQWQTSA-N
MW124.14 g/mol
LogP0.74
Rot. Bonds2

About ethyl (Z)-pent-2-en-4-ynoate

ethyl (Z)-pent-2-en-4-ynoate (PubChem CID 10887897) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is ethyl (Z)-pent-2-en-4-ynoate.

Molecular Properties

Compound Nameethyl (Z)-pent-2-en-4-ynoate
PubChem CID10887897
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Nameethyl (Z)-pent-2-en-4-ynoate
SMILESC#C/C=C\C(=O)OCC
InChIInChI=1S/C7H8O2/c1-3-5-6-7(8)9-4-2/h1,5-6H,4H2,2H3/b6-5-
InChIKeyHWZIPXLMNOMOJA-WAYWQWQTSA-N
XLogP0.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (Z)-4-amino-4-oxobut-2-enoate
CID 87434500
ethyl (E)-but-2-enoate;methanamine
CID 88817268
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311
diethyl (2E,5E)-4-oxohepta-2,5-dienedioate
CID 10922203
4-ethoxy-4-oxobut-2-eneperoxoic acid
CID 54480920
ethyl (Z)-pent-2-enoate
CID 11332473
diethyl but-2-enedioate;4-ethoxy-4-oxobut-2-enoic acid
CID 158661687
1-O-ethyl 4-O-ethyl (E)-but-2-enedioate
CID 123552962
4-O-[(Z)-4-ethoxy-4-oxobut-2-enoyl]oxycarbonyl 1-O-ethyl (Z)-but-2-enedioate
CID 175217873
sodium 3-ethoxy-3-oxoprop-1-en-1-olate
CID 23678224
calcium (E)-4-ethoxy-4-oxobut-2-enoate
CID 22568505

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-pent-2-en-4-ynoate?
The IUPAC name of ethyl (Z)-pent-2-en-4-ynoate (CID 10887897) is ethyl (Z)-pent-2-en-4-ynoate.
What is the SMILES notation for ethyl (Z)-pent-2-en-4-ynoate?
The canonical SMILES for ethyl (Z)-pent-2-en-4-ynoate is C#C/C=C\C(=O)OCC.
What is the InChIKey of ethyl (Z)-pent-2-en-4-ynoate?
The InChIKey is HWZIPXLMNOMOJA-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H8O2/c1-3-5-6-7(8)9-4-2/h1,5-6H,4H2,2H3/b6-5-.
What are the key properties of ethyl (Z)-pent-2-en-4-ynoate?
ethyl (Z)-pent-2-en-4-ynoate has a molecular weight of 124.14 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-pent-2-en-4-ynoate is sourced from PubChem (CID 10887897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).