ethyl 2-cyano-2-cyclopentylacetate

C10H15NO2 — CID 12596158

IUPACethyl 2-cyano-2-cyclopentylacetate
SMILESCCOC(=O)C(C#N)C1CCCC1
InChIInChI=1S/C10H15NO2/c1-2-13-10(12)9(7-11)8-5-3-4-6-8/h8-9H,2-6H2,1H3
InChIKeyUKDOGUMRMRNHQA-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.88
Rot. Bonds3

About ethyl 2-cyano-2-cyclopentylacetate

ethyl 2-cyano-2-cyclopentylacetate (PubChem CID 12596158) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethyl 2-cyano-2-cyclopentylacetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-cyclopentylacetate
PubChem CID12596158
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethyl 2-cyano-2-cyclopentylacetate
SMILESCCOC(=O)C(C#N)C1CCCC1
InChIInChI=1S/C10H15NO2/c1-2-13-10(12)9(7-11)8-5-3-4-6-8/h8-9H,2-6H2,1H3
InChIKeyUKDOGUMRMRNHQA-UHFFFAOYSA-N
XLogP1.88
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-cyanocyclohexane-1-carboxylate
CID 10997650
Ethyl 2-cyano-2-cyclohexylacetate
CID 239612
Ethyl 2-cyano-3-methylhexanoate
CID 240552
Ethyl 2-cyano-2-(1-methylcyclohexyl)acetate
CID 530301
2-Cyano-2-cyclopentylacetic acid
CID 14883540
Ethyl 2-cyano-2-(1-cyanocyclopentyl)acetate
CID 16226777
Ethyl 2-cyano-2-ethyl-3-methylhexanoate
CID 45489849
Ethyl 2-cyanononanoate
CID 276533
Methyl 1-cyanospiro[2.4]heptane-1-carboxylate
CID 11412713
ethyl (2R)-2-cyano-2-(1-cyanocyclopentyl)acetate
CID 7131203
Ethyl 2-cyano-3-ethylhexanoate
CID 53401997
methyl (1R,2S,4R)-2-cyano-4-fluorocyclopentane-1-carboxylate
CID 135178971

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-cyclopentylacetate?
The IUPAC name of ethyl 2-cyano-2-cyclopentylacetate (CID 12596158) is ethyl 2-cyano-2-cyclopentylacetate.
What is the SMILES notation for ethyl 2-cyano-2-cyclopentylacetate?
The canonical SMILES for ethyl 2-cyano-2-cyclopentylacetate is CCOC(=O)C(C#N)C1CCCC1.
What is the InChIKey of ethyl 2-cyano-2-cyclopentylacetate?
The InChIKey is UKDOGUMRMRNHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-13-10(12)9(7-11)8-5-3-4-6-8/h8-9H,2-6H2,1H3.
What are the key properties of ethyl 2-cyano-2-cyclopentylacetate?
ethyl 2-cyano-2-cyclopentylacetate has a molecular weight of 181.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-cyclopentylacetate is sourced from PubChem (CID 12596158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).