ethyl 2-benzoylcyclopropene-1-carboxylate

C13H12O3 — CID 102131953

IUPACethyl 2-benzoylcyclopropene-1-carboxylate
SMILESCCOC(=O)C1=C(C(=O)c2ccccc2)C1
InChIInChI=1S/C13H12O3/c1-2-16-13(15)11-8-10(11)12(14)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyJEOSAQJEZCKVBJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.13
Rot. Bonds4

About ethyl 2-benzoylcyclopropene-1-carboxylate

ethyl 2-benzoylcyclopropene-1-carboxylate (PubChem CID 102131953) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl 2-benzoylcyclopropene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzoylcyclopropene-1-carboxylate
PubChem CID102131953
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Nameethyl 2-benzoylcyclopropene-1-carboxylate
SMILESCCOC(=O)C1=C(C(=O)c2ccccc2)C1
InChIInChI=1S/C13H12O3/c1-2-16-13(15)11-8-10(11)12(14)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyJEOSAQJEZCKVBJ-UHFFFAOYSA-N
XLogP2.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzoylcyclopropene-1-carboxylate?
The IUPAC name of ethyl 2-benzoylcyclopropene-1-carboxylate (CID 102131953) is ethyl 2-benzoylcyclopropene-1-carboxylate.
What is the SMILES notation for ethyl 2-benzoylcyclopropene-1-carboxylate?
The canonical SMILES for ethyl 2-benzoylcyclopropene-1-carboxylate is CCOC(=O)C1=C(C(=O)c2ccccc2)C1.
What is the InChIKey of ethyl 2-benzoylcyclopropene-1-carboxylate?
The InChIKey is JEOSAQJEZCKVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-2-16-13(15)11-8-10(11)12(14)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-benzoylcyclopropene-1-carboxylate?
ethyl 2-benzoylcyclopropene-1-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzoylcyclopropene-1-carboxylate is sourced from PubChem (CID 102131953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).