1-cyclohexylethyl 2-cyanoacetate

C11H17NO2 — CID 151690528

IUPAC1-cyclohexylethyl 2-cyanoacetate
SMILESCC(OC(=O)CC#N)C1CCCCC1
InChIInChI=1S/C11H17NO2/c1-9(14-11(13)7-8-12)10-5-3-2-4-6-10/h9-10H,2-7H2,1H3
InChIKeyRCLREULBIBFWMK-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.41
Rot. Bonds3

About 1-cyclohexylethyl 2-cyanoacetate

1-cyclohexylethyl 2-cyanoacetate (PubChem CID 151690528) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-cyclohexylethyl 2-cyanoacetate.

Molecular Properties

Compound Name1-cyclohexylethyl 2-cyanoacetate
PubChem CID151690528
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-cyclohexylethyl 2-cyanoacetate
SMILESCC(OC(=O)CC#N)C1CCCCC1
InChIInChI=1S/C11H17NO2/c1-9(14-11(13)7-8-12)10-5-3-2-4-6-10/h9-10H,2-7H2,1H3
InChIKeyRCLREULBIBFWMK-UHFFFAOYSA-N
XLogP2.41
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptylethyl undecanoate
CID 173328758
1-cyclohexylethyl tridecanoate
CID 173328864
1-cyclopentylethyl 2-methoxyacetate
CID 566178
1-cyclopentylethyl acetate
CID 12705472
1-cyclohexylethyl (2S)-2-aminopropanoate
CID 165176376
1-O-butyl 4-O-(1-cyclopentylethyl) butanedioate
CID 91702667
butanoic acid;1-cyclohexylethyl acetate
CID 175401865
2-cyano-N-(1-cyclohexylpropyl)acetamide
CID 62405971
[(1S)-1-cyclohexylethyl] cyanate
CID 58109695
1-cyclohexylethyl 2-amino-2-methylpropanoate
CID 175898989
3-cyclooctyl-3-oxopropanenitrile
CID 15933104
3-cyclodecyl-3-oxopropanenitrile
CID 138502236

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethyl 2-cyanoacetate?
The IUPAC name of 1-cyclohexylethyl 2-cyanoacetate (CID 151690528) is 1-cyclohexylethyl 2-cyanoacetate.
What is the SMILES notation for 1-cyclohexylethyl 2-cyanoacetate?
The canonical SMILES for 1-cyclohexylethyl 2-cyanoacetate is CC(OC(=O)CC#N)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethyl 2-cyanoacetate?
The InChIKey is RCLREULBIBFWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(14-11(13)7-8-12)10-5-3-2-4-6-10/h9-10H,2-7H2,1H3.
What are the key properties of 1-cyclohexylethyl 2-cyanoacetate?
1-cyclohexylethyl 2-cyanoacetate has a molecular weight of 195.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethyl 2-cyanoacetate is sourced from PubChem (CID 151690528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).