10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile

C17H16N4 — CID 4544384

IUPAC10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile
SMILESCC1(C)C2CC1C1=CCC(C#N)(C#N)C(C#N)(C#N)C1C2
InChIInChI=1S/C17H16N4/c1-15(2)11-5-13(15)12-3-4-16(7-18,8-19)17(9-20,10-21)14(12)6-11/h3,11,13-14H,4-6H2,1-2H3
InChIKeyXUDZQZTUNWXWFY-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.07
Rot. Bonds

About 10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile

10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile (PubChem CID 4544384) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile.

Molecular Properties

Compound Name10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile
PubChem CID4544384
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile
SMILESCC1(C)C2CC1C1=CCC(C#N)(C#N)C(C#N)(C#N)C1C2
InChIInChI=1S/C17H16N4/c1-15(2)11-5-13(15)12-3-4-16(7-18,8-19)17(9-20,10-21)14(12)6-11/h3,11,13-14H,4-6H2,1-2H3
InChIKeyXUDZQZTUNWXWFY-UHFFFAOYSA-N
XLogP3.07
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_cyano_A(23)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile?
The IUPAC name of 10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile (CID 4544384) is 10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile.
What is the SMILES notation for 10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile?
The canonical SMILES for 10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile is CC1(C)C2CC1C1=CCC(C#N)(C#N)C(C#N)(C#N)C1C2.
What is the InChIKey of 10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile?
The InChIKey is XUDZQZTUNWXWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-15(2)11-5-13(15)12-3-4-16(7-18,8-19)17(9-20,10-21)14(12)6-11/h3,11,13-14H,4-6H2,1-2H3.
What are the key properties of 10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile?
10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-5,5,6,6-tetracarbonitrile is sourced from PubChem (CID 4544384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).