cyclohept-3-ene-1,2,4-tricarbonitrile

C10H9N3 — CID 87163350

IUPACcyclohept-3-ene-1,2,4-tricarbonitrile
SMILESN#CC1=CC(C#N)C(C#N)CCC1
InChIInChI=1S/C10H9N3/c11-5-8-2-1-3-9(6-12)10(4-8)7-13/h4,9-10H,1-3H2
InChIKeyDBNBUUJKQRBMOJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.90
Rot. Bonds

About cyclohept-3-ene-1,2,4-tricarbonitrile

cyclohept-3-ene-1,2,4-tricarbonitrile (PubChem CID 87163350) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is cyclohept-3-ene-1,2,4-tricarbonitrile.

Molecular Properties

Compound Namecyclohept-3-ene-1,2,4-tricarbonitrile
PubChem CID87163350
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Namecyclohept-3-ene-1,2,4-tricarbonitrile
SMILESN#CC1=CC(C#N)C(C#N)CCC1
InChIInChI=1S/C10H9N3/c11-5-8-2-1-3-9(6-12)10(4-8)7-13/h4,9-10H,1-3H2
InChIKeyDBNBUUJKQRBMOJ-UHFFFAOYSA-N
XLogP1.90
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclohexene-1-carbonitrile, 2,4-dimethyl-
CID 106698
Bicyclo(3.2.2)non-8-ene-6,7-dicarbonitrile
CID 244994
2-(Cyclohexen-1-yl)butanenitrile
CID 246781
3-(4-Methylcyclohex-3-en-1-yl)butanenitrile
CID 590500
Cyclooct-5-ene-1,2-dicarbonitrile
CID 90978277
2,3-Dicyanobicyclo(2.2.3)nona-2,5-diene
CID 145385
1,5-Cyclododecadienecarbonitrile, trimethyl-
CID 6450397
2,3-Dicyanobicyclo(2.2.2)octa-2,5-diene
CID 140459
2-(Cyclohepten-1-yl)butanenitrile
CID 246782
4-Methylcyclohex-4-ene-1,2-dicarbonitrile
CID 549439
Cyclohex-1-ene-1,3,5-tricarbonitrile
CID 71360143
8,12-Dimethyltridec-11-enenitrile
CID 15153641

Frequently Asked Questions

What is the IUPAC name of cyclohept-3-ene-1,2,4-tricarbonitrile?
The IUPAC name of cyclohept-3-ene-1,2,4-tricarbonitrile (CID 87163350) is cyclohept-3-ene-1,2,4-tricarbonitrile.
What is the SMILES notation for cyclohept-3-ene-1,2,4-tricarbonitrile?
The canonical SMILES for cyclohept-3-ene-1,2,4-tricarbonitrile is N#CC1=CC(C#N)C(C#N)CCC1.
What is the InChIKey of cyclohept-3-ene-1,2,4-tricarbonitrile?
The InChIKey is DBNBUUJKQRBMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c11-5-8-2-1-3-9(6-12)10(4-8)7-13/h4,9-10H,1-3H2.
What are the key properties of cyclohept-3-ene-1,2,4-tricarbonitrile?
cyclohept-3-ene-1,2,4-tricarbonitrile has a molecular weight of 171.20 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohept-3-ene-1,2,4-tricarbonitrile is sourced from PubChem (CID 87163350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).