tetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile

C14H8N2 — CID 102395954

IUPACtetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile
SMILESN#Cc1ccc(C#N)c2c1C1C=CC3C2C13
InChIInChI=1S/C14H8N2/c15-5-7-1-2-8(6-16)12-11(7)9-3-4-10-13(9)14(10)12/h1-4,9-10,13-14H
InChIKeyVEVWBURKJMEPKR-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.43
Rot. Bonds

About tetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile

tetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile (PubChem CID 102395954) has the molecular formula C14H8N2 and a molecular weight of 204.23 g/mol. Its IUPAC name is tetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile.

Molecular Properties

Compound Nametetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile
PubChem CID102395954
Molecular FormulaC14H8N2
Molecular Weight204.23 g/mol
Exact Mass204.07
IUPAC Nametetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile
SMILESN#Cc1ccc(C#N)c2c1C1C=CC3C2C13
InChIInChI=1S/C14H8N2/c15-5-7-1-2-8(6-16)12-11(7)9-3-4-10-13(9)14(10)12/h1-4,9-10,13-14H
InChIKeyVEVWBURKJMEPKR-UHFFFAOYSA-N
XLogP2.43
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile?
The IUPAC name of tetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile (CID 102395954) is tetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile.
What is the SMILES notation for tetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile?
The canonical SMILES for tetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile is N#Cc1ccc(C#N)c2c1C1C=CC3C2C13.
What is the InChIKey of tetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile?
The InChIKey is VEVWBURKJMEPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2/c15-5-7-1-2-8(6-16)12-11(7)9-3-4-10-13(9)14(10)12/h1-4,9-10,13-14H.
What are the key properties of tetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile?
tetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile has a molecular weight of 204.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-9,12-dicarbonitrile is sourced from PubChem (CID 102395954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).