ethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate

C11H14N2O2 — CID 7131203

IUPACethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate
SMILESCCOC(=O)[C@@H](C#N)C1(C#N)CCCC1
InChIInChI=1S/C11H14N2O2/c1-2-15-10(14)9(7-12)11(8-13)5-3-4-6-11/h9H,2-6H2,1H3/t9-/m1/s1
InChIKeyOBABJTYJPFDGJW-SECBINFHSA-N
MW206.24 g/mol
LogP1.77
Rot. Bonds3

About ethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate

ethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate (PubChem CID 7131203) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate
PubChem CID7131203
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nameethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate
SMILESCCOC(=O)[C@@H](C#N)C1(C#N)CCCC1
InChIInChI=1S/C11H14N2O2/c1-2-15-10(14)9(7-12)11(8-13)5-3-4-6-11/h9H,2-6H2,1H3/t9-/m1/s1
InChIKeyOBABJTYJPFDGJW-SECBINFHSA-N
XLogP1.77
TPSA73.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-cyanocyclohexane-1-carboxylate
CID 10997650
Ethyl 1-cyanocyclopentane-1-carboxylate
CID 15688760
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CID 530301
Ethyl 2-cyano-2-(1-cyanocyclopentyl)acetate
CID 16226777
Ethyl 2-cyano-2-ethyl-3-methylhexanoate
CID 45489849
Methyl 1-cyanospiro[2.4]heptane-1-carboxylate
CID 11412713
Ethyl cyano(cyclopentyl)acetate
CID 12596158
Hexanoic acid, 2-cyano-3-ethyl-3-methyl-, ethyl ester
CID 144390
Methyl 1-(cyanomethyl)cyclopentanecarboxylate
CID 10844811
Ethyl cyano[2,2-dicyano-4,4-dimethyl-3-(propan-2-yl)cyclobutyl]acetate
CID 3280886
Ethyl 2-(4-tert-butylcyclohexyl)-2-cyanoacetate
CID 11708617
Ethyl 2-cyano-2-(3,3,5-trimethylcyclohexyl)acetate
CID 12808863

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate?
The IUPAC name of ethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate (CID 7131203) is ethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate.
What is the SMILES notation for ethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate?
The canonical SMILES for ethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate is CCOC(=O)[C@@H](C#N)C1(C#N)CCCC1.
What is the InChIKey of ethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate?
The InChIKey is OBABJTYJPFDGJW-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-15-10(14)9(7-12)11(8-13)5-3-4-6-11/h9H,2-6H2,1H3/t9-/m1/s1.
What are the key properties of ethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate?
ethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate has a molecular weight of 206.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate is sourced from PubChem (CID 7131203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).