carboxy 1-ethenylcyclopropane-1-carboxylate

C7H8O4 — CID 88699913

IUPACcarboxy 1-ethenylcyclopropane-1-carboxylate
SMILESC=CC1(C(=O)OC(=O)O)CC1
InChIInChI=1S/C7H8O4/c1-2-7(3-4-7)5(8)11-6(9)10/h2H,1,3-4H2,(H,9,10)
InChIKeyUZVTVKWPZODSJK-UHFFFAOYSA-N
MW156.14 g/mol
LogP1.17
Rot. Bonds2

About carboxy 1-ethenylcyclopropane-1-carboxylate

carboxy 1-ethenylcyclopropane-1-carboxylate (PubChem CID 88699913) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is carboxy 1-ethenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecarboxy 1-ethenylcyclopropane-1-carboxylate
PubChem CID88699913
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Namecarboxy 1-ethenylcyclopropane-1-carboxylate
SMILESC=CC1(C(=O)OC(=O)O)CC1
InChIInChI=1S/C7H8O4/c1-2-7(3-4-7)5(8)11-6(9)10/h2H,1,3-4H2,(H,9,10)
InChIKeyUZVTVKWPZODSJK-UHFFFAOYSA-N
XLogP1.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

acetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate
CID 67925632
ethyl 1-ethenylcyclopropane-1-carboxylate
CID 15179001
methyl 3-ethenylthietane-3-carboxylate
CID 122400387
1-ethenyl-N-ethylcyclopropane-1-carboxamide
CID 176664996
1-ethenyl-3-hydroxycyclopentane-1-carboxylic acid
CID 130196105
carboxy hydrogen carbonate;hydrochloride
CID 141485807
1-O-tert-butyl 4-O-ethyl 4-ethenylpiperidine-1,4-dicarboxylate
CID 118176170
dimethyl 1,4-diformylcyclohexane-1,4-dicarboxylate
CID 15656318
1-acetyl-3-ethenylpyrrolidine-3-carboxylic acid
CID 167731428
dicalcium;carboxy hydrogen carbonate;hydride
CID 174530537
dicarboxy carbonate
CID 18671322
(1-ethenylcyclopropyl) prop-2-enoate
CID 22991067

Frequently Asked Questions

What is the IUPAC name of carboxy 1-ethenylcyclopropane-1-carboxylate?
The IUPAC name of carboxy 1-ethenylcyclopropane-1-carboxylate (CID 88699913) is carboxy 1-ethenylcyclopropane-1-carboxylate.
What is the SMILES notation for carboxy 1-ethenylcyclopropane-1-carboxylate?
The canonical SMILES for carboxy 1-ethenylcyclopropane-1-carboxylate is C=CC1(C(=O)OC(=O)O)CC1.
What is the InChIKey of carboxy 1-ethenylcyclopropane-1-carboxylate?
The InChIKey is UZVTVKWPZODSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-2-7(3-4-7)5(8)11-6(9)10/h2H,1,3-4H2,(H,9,10).
What are the key properties of carboxy 1-ethenylcyclopropane-1-carboxylate?
carboxy 1-ethenylcyclopropane-1-carboxylate has a molecular weight of 156.14 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy 1-ethenylcyclopropane-1-carboxylate is sourced from PubChem (CID 88699913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).