methyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate

C10H14O4 — CID 67072021

IUPACmethyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate
SMILESCCO/C=C(\C(=O)OC)C(=O)C1CC1
InChIInChI=1S/C10H14O4/c1-3-14-6-8(10(12)13-2)9(11)7-4-5-7/h6-7H,3-5H2,1-2H3/b8-6-
InChIKeyZWVMXHPHMAPPTJ-VURMDHGXSA-N
MW198.22 g/mol
LogP1.06
Rot. Bonds5

About methyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate

methyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate (PubChem CID 67072021) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate
PubChem CID67072021
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate
SMILESCCO/C=C(\C(=O)OC)C(=O)C1CC1
InChIInChI=1S/C10H14O4/c1-3-14-6-8(10(12)13-2)9(11)7-4-5-7/h6-7H,3-5H2,1-2H3/b8-6-
InChIKeyZWVMXHPHMAPPTJ-VURMDHGXSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.06
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'}

Analyze methyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-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

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate?
The IUPAC name of methyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate (CID 67072021) is methyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate?
The canonical SMILES for methyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate is CCO/C=C(\C(=O)OC)C(=O)C1CC1.
What is the InChIKey of methyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate?
The InChIKey is ZWVMXHPHMAPPTJ-VURMDHGXSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-14-6-8(10(12)13-2)9(11)7-4-5-7/h6-7H,3-5H2,1-2H3/b8-6-.
What are the key properties of methyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate?
methyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate is sourced from PubChem (CID 67072021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).