1-(cyanomethyl)cyclohexane-1-carbonitrile

C9H12N2 — CID 10920666

IUPAC1-(cyanomethyl)cyclohexane-1-carbonitrile
SMILESN#CCC1(C#N)CCCCC1
InChIInChI=1S/C9H12N2/c10-7-6-9(8-11)4-2-1-3-5-9/h1-6H2
InChIKeyCYMZDPHCBAWUHZ-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.37
Rot. Bonds1

About 1-(cyanomethyl)cyclohexane-1-carbonitrile

1-(cyanomethyl)cyclohexane-1-carbonitrile (PubChem CID 10920666) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-(cyanomethyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyanomethyl)cyclohexane-1-carbonitrile
PubChem CID10920666
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-(cyanomethyl)cyclohexane-1-carbonitrile
SMILESN#CCC1(C#N)CCCCC1
InChIInChI=1S/C9H12N2/c10-7-6-9(8-11)4-2-1-3-5-9/h1-6H2
InChIKeyCYMZDPHCBAWUHZ-UHFFFAOYSA-N
XLogP2.37
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyanomethyl)cyclohexane-1-carbonitrile (CID 10920666) is 1-(cyanomethyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyanomethyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyanomethyl)cyclohexane-1-carbonitrile is N#CCC1(C#N)CCCCC1.
What is the InChIKey of 1-(cyanomethyl)cyclohexane-1-carbonitrile?
The InChIKey is CYMZDPHCBAWUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c10-7-6-9(8-11)4-2-1-3-5-9/h1-6H2.
What are the key properties of 1-(cyanomethyl)cyclohexane-1-carbonitrile?
1-(cyanomethyl)cyclohexane-1-carbonitrile has a molecular weight of 148.21 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 10920666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).