2-cycloundecylacetonitrile

C13H23N — CID 89159933

IUPAC2-cycloundecylacetonitrile
SMILESN#CCC1CCCCCCCCCC1
InChIInChI=1S/C13H23N/c14-12-11-13-9-7-5-3-1-2-4-6-8-10-13/h13H,1-11H2
InChIKeyCALHIUMXRAPJOA-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.43
Rot. Bonds1

About 2-cycloundecylacetonitrile

2-cycloundecylacetonitrile (PubChem CID 89159933) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-cycloundecylacetonitrile.

Molecular Properties

Compound Name2-cycloundecylacetonitrile
PubChem CID89159933
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-cycloundecylacetonitrile
SMILESN#CCC1CCCCCCCCCC1
InChIInChI=1S/C13H23N/c14-12-11-13-9-7-5-3-1-2-4-6-8-10-13/h13H,1-11H2
InChIKeyCALHIUMXRAPJOA-UHFFFAOYSA-N
XLogP4.43
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[4-(cyanomethyl)cyclohexyl]acetic acid
CID 10749914
2-(9-thiabicyclo[3.3.1]nonan-3-yl)acetonitrile
CID 171937191
2-(1-ethylpiperidin-3-yl)acetonitrile
CID 83914081
3-(3-cyclohexylprop-1-ynylsulfanyl)prop-2-ynylcyclohexane
CID 126513432
cyclooctanecarbonitrile
CID 13075060
2-[cyclohexylmethyl(methyl)amino]acetonitrile
CID 60750592

Frequently Asked Questions

What is the IUPAC name of 2-cycloundecylacetonitrile?
The IUPAC name of 2-cycloundecylacetonitrile (CID 89159933) is 2-cycloundecylacetonitrile.
What is the SMILES notation for 2-cycloundecylacetonitrile?
The canonical SMILES for 2-cycloundecylacetonitrile is N#CCC1CCCCCCCCCC1.
What is the InChIKey of 2-cycloundecylacetonitrile?
The InChIKey is CALHIUMXRAPJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c14-12-11-13-9-7-5-3-1-2-4-6-8-10-13/h13H,1-11H2.
What are the key properties of 2-cycloundecylacetonitrile?
2-cycloundecylacetonitrile has a molecular weight of 193.33 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloundecylacetonitrile is sourced from PubChem (CID 89159933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).