cis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate

C11H15NO2 — CID 10655414

IUPACcis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate
SMILESC=C[C@H]1CCC[C@]1(C#N)C(=O)OCC
InChIInChI=1S/C11H15NO2/c1-3-9-6-5-7-11(9,8-12)10(13)14-4-2/h3,9H,1,4-7H2,2H3/t9-,11+/m0/s1
InChIKeyIXNLEUCYPSMDCM-GXSJLCMTSA-N
MW193.25 g/mol
LogP2.05
Rot. Bonds3

About cis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate

cis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate (PubChem CID 10655414) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is cis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate
PubChem CID10655414
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namecis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate
SMILESC=C[C@H]1CCC[C@]1(C#N)C(=O)OCC
InChIInChI=1S/C11H15NO2/c1-3-9-6-5-7-11(9,8-12)10(13)14-4-2/h3,9H,1,4-7H2,2H3/t9-,11+/m0/s1
InChIKeyIXNLEUCYPSMDCM-GXSJLCMTSA-N
XLogP2.05
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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methyl (1R,2R,3S,4R)-1-cyano-4-ethenyl-3-formyl-2-methylcyclopentane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate (CID 10655414) is cis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate is C=C[C@H]1CCC[C@]1(C#N)C(=O)OCC.
What is the InChIKey of cis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate?
The InChIKey is IXNLEUCYPSMDCM-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-9-6-5-7-11(9,8-12)10(13)14-4-2/h3,9H,1,4-7H2,2H3/t9-,11+/m0/s1.
What are the key properties of cis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate?
cis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate is sourced from PubChem (CID 10655414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).