ethyl 2-benzoylcyclopropane-1-carboxylate

C13H14O3 — CID 15568394

IUPACethyl 2-benzoylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(=O)c1ccccc1
InChIInChI=1S/C13H14O3/c1-2-16-13(15)11-8-10(11)12(14)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
InChIKeyNEZYLQGJCYDGJR-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.07
Rot. Bonds4

About ethyl 2-benzoylcyclopropane-1-carboxylate

ethyl 2-benzoylcyclopropane-1-carboxylate (PubChem CID 15568394) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is ethyl 2-benzoylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzoylcyclopropane-1-carboxylate
PubChem CID15568394
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Nameethyl 2-benzoylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(=O)c1ccccc1
InChIInChI=1S/C13H14O3/c1-2-16-13(15)11-8-10(11)12(14)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
InChIKeyNEZYLQGJCYDGJR-UHFFFAOYSA-N
XLogP2.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate
CID 3738299
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
trans-2-O-ethyl 1-O-phenyl (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 101070997
trans-tert-butyl (1S,2S)-2-benzoylcyclopropane-1-carboxylate
CID 12996560
ethyl 3-benzoyl-2-oxocyclopentane-1-carboxylate
CID 22897624
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate
CID 134969081
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
CID 102105176
ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate
CID 102387076
ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate
CID 102105174
ethyl 2-benzoylsulfanylcyclohexane-1-carboxylate
CID 134280836

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzoylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-benzoylcyclopropane-1-carboxylate (CID 15568394) is ethyl 2-benzoylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-benzoylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-benzoylcyclopropane-1-carboxylate is CCOC(=O)C1CC1C(=O)c1ccccc1.
What is the InChIKey of ethyl 2-benzoylcyclopropane-1-carboxylate?
The InChIKey is NEZYLQGJCYDGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-2-16-13(15)11-8-10(11)12(14)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3.
What are the key properties of ethyl 2-benzoylcyclopropane-1-carboxylate?
ethyl 2-benzoylcyclopropane-1-carboxylate has a molecular weight of 218.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzoylcyclopropane-1-carboxylate is sourced from PubChem (CID 15568394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).