cyclooctyl 2-pyridin-2-ylacetate

C15H21NO2 — CID 15055568

IUPACcyclooctyl 2-pyridin-2-ylacetate
SMILESO=C(Cc1ccccn1)OC1CCCCCCC1
InChIInChI=1S/C15H21NO2/c17-15(12-13-8-6-7-11-16-13)18-14-9-4-2-1-3-5-10-14/h6-8,11,14H,1-5,9-10,12H2
InChIKeyAFIGUKYGIJUCEN-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.28
Rot. Bonds3

About cyclooctyl 2-pyridin-2-ylacetate

cyclooctyl 2-pyridin-2-ylacetate (PubChem CID 15055568) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is cyclooctyl 2-pyridin-2-ylacetate.

Molecular Properties

Compound Namecyclooctyl 2-pyridin-2-ylacetate
PubChem CID15055568
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namecyclooctyl 2-pyridin-2-ylacetate
SMILESO=C(Cc1ccccn1)OC1CCCCCCC1
InChIInChI=1S/C15H21NO2/c17-15(12-13-8-6-7-11-16-13)18-14-9-4-2-1-3-5-10-14/h6-8,11,14H,1-5,9-10,12H2
InChIKeyAFIGUKYGIJUCEN-UHFFFAOYSA-N
XLogP3.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylcyclohexyl) 2-pyridin-2-ylacetate
CID 15055566
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-pyridin-2-ylacetate
CID 68718467
cyclohexyl 2-(2-fluorophenyl)acetate
CID 78840084
cyclohexyl 2-(1,2-oxazol-5-yl)acetate
CID 159710409
cyclohexyl N-pyridin-2-ylcarbamate
CID 127539206
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
cyclopentyl 4-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]butanoate
CID 111826256
[dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate
CID 90113041
(2-pyridin-2-ylacetyl) 2-pyridin-2-ylacetate;1H-pyrrole
CID 174963764
2-cyclohexyloxy-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 86824150
N-cyclohexyl-N-(2-hydroxyethyl)-2-pyridin-2-ylacetamide
CID 54994483
cyclopentyl 2-[4-(aminomethyl)phenyl]acetate
CID 174631265

Frequently Asked Questions

What is the IUPAC name of cyclooctyl 2-pyridin-2-ylacetate?
The IUPAC name of cyclooctyl 2-pyridin-2-ylacetate (CID 15055568) is cyclooctyl 2-pyridin-2-ylacetate.
What is the SMILES notation for cyclooctyl 2-pyridin-2-ylacetate?
The canonical SMILES for cyclooctyl 2-pyridin-2-ylacetate is O=C(Cc1ccccn1)OC1CCCCCCC1.
What is the InChIKey of cyclooctyl 2-pyridin-2-ylacetate?
The InChIKey is AFIGUKYGIJUCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(12-13-8-6-7-11-16-13)18-14-9-4-2-1-3-5-10-14/h6-8,11,14H,1-5,9-10,12H2.
What are the key properties of cyclooctyl 2-pyridin-2-ylacetate?
cyclooctyl 2-pyridin-2-ylacetate has a molecular weight of 247.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl 2-pyridin-2-ylacetate is sourced from PubChem (CID 15055568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).