ethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate

C14H21NO2 — CID 10513925

IUPACethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate
SMILESC=C(C)C1CCC(C)C1C(C#N)C(=O)OCC
InChIInChI=1S/C14H21NO2/c1-5-17-14(16)12(8-15)13-10(4)6-7-11(13)9(2)3/h10-13H,2,5-7H2,1,3-4H3
InChIKeyCUJVAJHKWZIJSG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.93
Rot. Bonds4

About ethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate

ethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate (PubChem CID 10513925) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate
PubChem CID10513925
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate
SMILESC=C(C)C1CCC(C)C1C(C#N)C(=O)OCC
InChIInChI=1S/C14H21NO2/c1-5-17-14(16)12(8-15)13-10(4)6-7-11(13)9(2)3/h10-13H,2,5-7H2,1,3-4H3
InChIKeyCUJVAJHKWZIJSG-UHFFFAOYSA-N
XLogP2.93
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate?
The IUPAC name of ethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate (CID 10513925) is ethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate.
What is the SMILES notation for ethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate?
The canonical SMILES for ethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate is C=C(C)C1CCC(C)C1C(C#N)C(=O)OCC.
What is the InChIKey of ethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate?
The InChIKey is CUJVAJHKWZIJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-17-14(16)12(8-15)13-10(4)6-7-11(13)9(2)3/h10-13H,2,5-7H2,1,3-4H3.
What are the key properties of ethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate?
ethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate has a molecular weight of 235.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-(2-methyl-5-prop-1-en-2-ylcyclopentyl)acetate is sourced from PubChem (CID 10513925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).