cyclohexene-1,3,5-tricarbonitrile

C9H7N3 — CID 71360143

IUPACcyclohexene-1,3,5-tricarbonitrile
SMILESN#CC1=CC(C#N)CC(C#N)C1
InChIInChI=1S/C9H7N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1,7,9H,2-3H2
InChIKeyFNSAUXDOGYDCIX-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.51
Rot. Bonds

About cyclohexene-1,3,5-tricarbonitrile

cyclohexene-1,3,5-tricarbonitrile (PubChem CID 71360143) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is cyclohexene-1,3,5-tricarbonitrile.

Molecular Properties

Compound Namecyclohexene-1,3,5-tricarbonitrile
PubChem CID71360143
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Namecyclohexene-1,3,5-tricarbonitrile
SMILESN#CC1=CC(C#N)CC(C#N)C1
InChIInChI=1S/C9H7N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1,7,9H,2-3H2
InChIKeyFNSAUXDOGYDCIX-UHFFFAOYSA-N
XLogP1.51
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexene-1,3,5-tricarbonitrile?
The IUPAC name of cyclohexene-1,3,5-tricarbonitrile (CID 71360143) is cyclohexene-1,3,5-tricarbonitrile.
What is the SMILES notation for cyclohexene-1,3,5-tricarbonitrile?
The canonical SMILES for cyclohexene-1,3,5-tricarbonitrile is N#CC1=CC(C#N)CC(C#N)C1.
What is the InChIKey of cyclohexene-1,3,5-tricarbonitrile?
The InChIKey is FNSAUXDOGYDCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1,7,9H,2-3H2.
What are the key properties of cyclohexene-1,3,5-tricarbonitrile?
cyclohexene-1,3,5-tricarbonitrile has a molecular weight of 157.18 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene-1,3,5-tricarbonitrile is sourced from PubChem (CID 71360143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).