(2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate

C16H23NO2 — CID 102556620

IUPAC(2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESN#CC1CCCCC1OC(=O)CC1CC2CCC1C2
InChIInChI=1S/C16H23NO2/c17-10-13-3-1-2-4-15(13)19-16(18)9-14-8-11-5-6-12(14)7-11/h11-15H,1-9H2
InChIKeyYDAWMAMDBRDHFD-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.44
Rot. Bonds3

About (2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate

(2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 102556620) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name(2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID102556620
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESN#CC1CCCCC1OC(=O)CC1CC2CCC1C2
InChIInChI=1S/C16H23NO2/c17-10-13-3-1-2-4-15(13)19-16(18)9-14-8-11-5-6-12(14)7-11/h11-15H,1-9H2
InChIKeyYDAWMAMDBRDHFD-UHFFFAOYSA-N
XLogP3.44
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of (2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 102556620) is (2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for (2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for (2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate is N#CC1CCCCC1OC(=O)CC1CC2CCC1C2.
What is the InChIKey of (2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is YDAWMAMDBRDHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-10-13-3-1-2-4-15(13)19-16(18)9-14-8-11-5-6-12(14)7-11/h11-15H,1-9H2.
What are the key properties of (2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate?
(2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 261.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanocyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 102556620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).