ethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate

C11H16O3 — CID 67718407

IUPACethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)C1C2CC(CC)C(=O)C21
InChIInChI=1S/C11H16O3/c1-3-6-5-7-8(10(6)12)9(7)11(13)14-4-2/h6-9H,3-5H2,1-2H3
InChIKeyVETJRVVERYHVCW-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.41
Rot. Bonds3

About ethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate

ethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 67718407) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate
PubChem CID67718407
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Nameethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)C1C2CC(CC)C(=O)C21
InChIInChI=1S/C11H16O3/c1-3-6-5-7-8(10(6)12)9(7)11(13)14-4-2/h6-9H,3-5H2,1-2H3
InChIKeyVETJRVVERYHVCW-UHFFFAOYSA-N
XLogP1.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 66727794
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001
ethyl (1S,5R,6R)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 169274214
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
ethyl (1R,2R,3S,6R,7R,9S)-2-bromo-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 124837487
ethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate
CID 66902478
ethyl 3-amino-5,6-dioxobicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
CID 66665430
ethyl (1R,2S,5S,6S)-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 11041394
ethyl (1R,5S,6S)-4-oxo-2-thiabicyclo[3.1.0]hexane-6-carboxylate
CID 10487788
ethyl 2,3-dioxocyclopentane-1-carboxylate
CID 130026867

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of ethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate (CID 67718407) is ethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for ethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate is CCOC(=O)C1C2CC(CC)C(=O)C21.
What is the InChIKey of ethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is VETJRVVERYHVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-6-5-7-8(10(6)12)9(7)11(13)14-4-2/h6-9H,3-5H2,1-2H3.
What are the key properties of ethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate?
ethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-2-oxobicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 67718407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).