ethyl 1-cyano-3-ethylcyclobutane-1-carboxylate

C10H15NO2 — CID 79560172

IUPACethyl 1-cyano-3-ethylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C#N)CC(CC)C1
InChIInChI=1S/C10H15NO2/c1-3-8-5-10(6-8,7-11)9(12)13-4-2/h8H,3-6H2,1-2H3
InChIKeyWRLKHWLMYKLXPR-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.88
Rot. Bonds3

About ethyl 1-cyano-3-ethylcyclobutane-1-carboxylate

ethyl 1-cyano-3-ethylcyclobutane-1-carboxylate (PubChem CID 79560172) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethyl 1-cyano-3-ethylcyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyano-3-ethylcyclobutane-1-carboxylate
PubChem CID79560172
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethyl 1-cyano-3-ethylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C#N)CC(CC)C1
InChIInChI=1S/C10H15NO2/c1-3-8-5-10(6-8,7-11)9(12)13-4-2/h8H,3-6H2,1-2H3
InChIKeyWRLKHWLMYKLXPR-UHFFFAOYSA-N
XLogP1.88
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-cyano-3-propylcyclobutane-1-carboxylic acid
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ethyl 1-amino-3-cyanocyclopentane-1-carboxylate
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ethyl 5-cyano-3,5-dimethyl-4H-pyrazole-3-carboxylate
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ethyl 1-cyano-2-methylidene-4-methylsulfonylcyclopentane-1-carboxylate
CID 102567490
ethyl 1-benzyl-4-cyano-2-methylpiperidine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyano-3-ethylcyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-cyano-3-ethylcyclobutane-1-carboxylate (CID 79560172) is ethyl 1-cyano-3-ethylcyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-cyano-3-ethylcyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-cyano-3-ethylcyclobutane-1-carboxylate is CCOC(=O)C1(C#N)CC(CC)C1.
What is the InChIKey of ethyl 1-cyano-3-ethylcyclobutane-1-carboxylate?
The InChIKey is WRLKHWLMYKLXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-8-5-10(6-8,7-11)9(12)13-4-2/h8H,3-6H2,1-2H3.
What are the key properties of ethyl 1-cyano-3-ethylcyclobutane-1-carboxylate?
ethyl 1-cyano-3-ethylcyclobutane-1-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyano-3-ethylcyclobutane-1-carboxylate is sourced from PubChem (CID 79560172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).