ethyl 2-cyano-3-cyclopentyl-2-methylpropanoate

C12H19NO2 — CID 114290116

IUPACethyl 2-cyano-3-cyclopentyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C#N)CC1CCCC1
InChIInChI=1S/C12H19NO2/c1-3-15-11(14)12(2,9-13)8-10-6-4-5-7-10/h10H,3-8H2,1-2H3
InChIKeyGERWEWCXMITFEA-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.66
Rot. Bonds4

About ethyl 2-cyano-3-cyclopentyl-2-methylpropanoate

ethyl 2-cyano-3-cyclopentyl-2-methylpropanoate (PubChem CID 114290116) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethyl 2-cyano-3-cyclopentyl-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-cyano-3-cyclopentyl-2-methylpropanoate
PubChem CID114290116
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethyl 2-cyano-3-cyclopentyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C#N)CC1CCCC1
InChIInChI=1S/C12H19NO2/c1-3-15-11(14)12(2,9-13)8-10-6-4-5-7-10/h10H,3-8H2,1-2H3
InChIKeyGERWEWCXMITFEA-UHFFFAOYSA-N
XLogP2.66
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(cyclohexylmethyl)-2-ethoxycarbonylpentanoic acid
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(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
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ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
CID 106487001
ethyl 2-cyano-2-cyclohexylpent-4-ynoate
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ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate
CID 115128935
ethyl (E)-2-cyano-4-cyclopentyl-3-methylbut-2-enoate
CID 95004581
ethyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate
CID 63919480
ethyl 4-cyclohexyl-2-methylidenebutanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-3-cyclopentyl-2-methylpropanoate?
The IUPAC name of ethyl 2-cyano-3-cyclopentyl-2-methylpropanoate (CID 114290116) is ethyl 2-cyano-3-cyclopentyl-2-methylpropanoate.
What is the SMILES notation for ethyl 2-cyano-3-cyclopentyl-2-methylpropanoate?
The canonical SMILES for ethyl 2-cyano-3-cyclopentyl-2-methylpropanoate is CCOC(=O)C(C)(C#N)CC1CCCC1.
What is the InChIKey of ethyl 2-cyano-3-cyclopentyl-2-methylpropanoate?
The InChIKey is GERWEWCXMITFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-15-11(14)12(2,9-13)8-10-6-4-5-7-10/h10H,3-8H2,1-2H3.
What are the key properties of ethyl 2-cyano-3-cyclopentyl-2-methylpropanoate?
ethyl 2-cyano-3-cyclopentyl-2-methylpropanoate has a molecular weight of 209.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-3-cyclopentyl-2-methylpropanoate is sourced from PubChem (CID 114290116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).