trans-ethyl (1R,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate

C11H15NO2 — CID 15440528

IUPACtrans-ethyl (1R,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-ONGXEEELSA-N
MW193.25 g/mol
LogP2.05
Rot. Bonds3

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

trans-ethyl (1R,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate (PubChem CID 15440528) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate
PubChem CID15440528
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nametrans-ethyl (1R,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-ONGXEEELSA-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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Launch Full Analysis

Related Compounds

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CID 53428703
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CID 132539790
methyl (1R,2R,3S,4R)-1-cyano-4-ethenyl-3-formyl-2-methylcyclopentane-1-carboxylate
CID 132539795
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CID 134965689
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Ethyl 2-cyano-2,2-di(cyclopent-2-en-1-yl)acetate
CID 285532
ethyl (1R,2S,3R,4S)-3-cyanobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 102574080
Methyl 2-cyanobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 12873863
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CID 14986707

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate (CID 15440528) is trans-ethyl (1R,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,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 trans-ethyl (1R,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate?
The InChIKey is IXNLEUCYPSMDCM-ONGXEEELSA-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 trans-ethyl (1R,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate?
trans-ethyl (1R,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 trans-ethyl (1R,2R)-1-cyano-2-ethenylcyclopentane-1-carboxylate is sourced from PubChem (CID 15440528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).