cyclooctanecarbonitrile

C9H15N — CID 13075060

IUPACcyclooctanecarbonitrile
SMILESN#CC1CCCCCCC1
InChIInChI=1S/C9H15N/c10-8-9-6-4-2-1-3-5-7-9/h9H,1-7H2
InChIKeyCDJYSGGMWWVQOJ-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.87
Rot. Bonds

About cyclooctanecarbonitrile

cyclooctanecarbonitrile (PubChem CID 13075060) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is cyclooctanecarbonitrile.

Molecular Properties

Compound Namecyclooctanecarbonitrile
PubChem CID13075060
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Namecyclooctanecarbonitrile
SMILESN#CC1CCCCCCC1
InChIInChI=1S/C9H15N/c10-8-9-6-4-2-1-3-5-7-9/h9H,1-7H2
InChIKeyCDJYSGGMWWVQOJ-UHFFFAOYSA-N
XLogP2.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclooctanecarbonitrile?
The IUPAC name of cyclooctanecarbonitrile (CID 13075060) is cyclooctanecarbonitrile.
What is the SMILES notation for cyclooctanecarbonitrile?
The canonical SMILES for cyclooctanecarbonitrile is N#CC1CCCCCCC1.
What is the InChIKey of cyclooctanecarbonitrile?
The InChIKey is CDJYSGGMWWVQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c10-8-9-6-4-2-1-3-5-7-9/h9H,1-7H2.
What are the key properties of cyclooctanecarbonitrile?
cyclooctanecarbonitrile has a molecular weight of 137.23 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctanecarbonitrile is sourced from PubChem (CID 13075060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).