cyclooctanecarbonitrile;methane

C11H23N — CID 173081929

IUPACcyclooctanecarbonitrile;methane
SMILESC.C.N#CC1CCCCCCC1
InChIInChI=1S/C9H15N.2CH4/c10-8-9-6-4-2-1-3-5-7-9;;/h9H,1-7H2;2*1H4
InChIKeyUKPKTMJNEKXKIR-UHFFFAOYSA-N
MW169.31 g/mol
LogP4.14
Rot. Bonds

About cyclooctanecarbonitrile;methane

cyclooctanecarbonitrile;methane (PubChem CID 173081929) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is cyclooctanecarbonitrile;methane.

Molecular Properties

Compound Namecyclooctanecarbonitrile;methane
PubChem CID173081929
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Namecyclooctanecarbonitrile;methane
SMILESC.C.N#CC1CCCCCCC1
InChIInChI=1S/C9H15N.2CH4/c10-8-9-6-4-2-1-3-5-7-9;;/h9H,1-7H2;2*1H4
InChIKeyUKPKTMJNEKXKIR-UHFFFAOYSA-N
XLogP4.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclooctanecarbonitrile
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cyclohexanecarbonitrile;hydrochloride
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cyclohexanecarbonitrile;fluoromethane
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cyclohexanecarbonitrile;2-methylpropanenitrile
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oxepane-4-carbonitrile
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3-(cyclohexylamino)cyclohexane-1-carbonitrile
CID 66872054
CID 174075237
CID 174075237
(4R)-azepane-4-carbonitrile;hydrochloride
CID 171641118
1-aminoazepane-4-carbonitrile
CID 166157345
1-oxaspiro[4.5]decane-8-carbonitrile
CID 67072839
CID 153149289
CID 153149289
trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
CID 12656927

Frequently Asked Questions

What is the IUPAC name of cyclooctanecarbonitrile;methane?
The IUPAC name of cyclooctanecarbonitrile;methane (CID 173081929) is cyclooctanecarbonitrile;methane.
What is the SMILES notation for cyclooctanecarbonitrile;methane?
The canonical SMILES for cyclooctanecarbonitrile;methane is C.C.N#CC1CCCCCCC1.
What is the InChIKey of cyclooctanecarbonitrile;methane?
The InChIKey is UKPKTMJNEKXKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.2CH4/c10-8-9-6-4-2-1-3-5-7-9;;/h9H,1-7H2;2*1H4.
What are the key properties of cyclooctanecarbonitrile;methane?
cyclooctanecarbonitrile;methane has a molecular weight of 169.31 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctanecarbonitrile;methane is sourced from PubChem (CID 173081929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).