ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate

C11H16O4 — CID 66901539

IUPACethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate
SMILESCCOC(=O)/C(C(=O)C1CC1)=C(/C)OC
InChIInChI=1S/C11H16O4/c1-4-15-11(13)9(7(2)14-3)10(12)8-5-6-8/h8H,4-6H2,1-3H3/b9-7-
InChIKeyLLMIQXHJQSNJFY-CLFYSBASSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds5

About ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate

ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate (PubChem CID 66901539) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate
PubChem CID66901539
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate
SMILESCCOC(=O)/C(C(=O)C1CC1)=C(/C)OC
InChIInChI=1S/C11H16O4/c1-4-15-11(13)9(7(2)14-3)10(12)8-5-6-8/h8H,4-6H2,1-3H3/b9-7-
InChIKeyLLMIQXHJQSNJFY-CLFYSBASSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

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ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
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methyl (2Z)-2-(1-methoxyethylidene)-3-oxopentanoate
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cobalt;bis(ethyl (E)-2-acetyl-3-hydroxybut-2-enoate)
CID 134899526
ethyl 2-cyano-3,3-dicyclopropylprop-2-enoate
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methyl 3-cyclopropyl-2,3-dioxopropanoate
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ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate
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diethyl 2-but-3-yn-2-ylidenepropanedioate
CID 59650926
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate?
The IUPAC name of ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate (CID 66901539) is ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate.
What is the SMILES notation for ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate?
The canonical SMILES for ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate is CCOC(=O)/C(C(=O)C1CC1)=C(/C)OC.
What is the InChIKey of ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate?
The InChIKey is LLMIQXHJQSNJFY-CLFYSBASSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-15-11(13)9(7(2)14-3)10(12)8-5-6-8/h8H,4-6H2,1-3H3/b9-7-.
What are the key properties of ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate?
ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate is sourced from PubChem (CID 66901539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).