cyclohepta-2,7-diene-1,2-dicarbonitrile

C9H8N2 — CID 135275572

IUPACcyclohepta-2,7-diene-1,2-dicarbonitrile
SMILESN#CC1=CCCCC=C1C#N
InChIInChI=1S/C9H8N2/c10-6-8-4-2-1-3-5-9(8)7-11/h4-5H,1-3H2
InChIKeyWVHXLJKGNTVXKH-UHFFFAOYSA-N
MW144.18 g/mol
LogP2.07
Rot. Bonds

About cyclohepta-2,7-diene-1,2-dicarbonitrile

cyclohepta-2,7-diene-1,2-dicarbonitrile (PubChem CID 135275572) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is cyclohepta-2,7-diene-1,2-dicarbonitrile.

Molecular Properties

Compound Namecyclohepta-2,7-diene-1,2-dicarbonitrile
PubChem CID135275572
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Namecyclohepta-2,7-diene-1,2-dicarbonitrile
SMILESN#CC1=CCCCC=C1C#N
InChIInChI=1S/C9H8N2/c10-6-8-4-2-1-3-5-9(8)7-11/h4-5H,1-3H2
InChIKeyWVHXLJKGNTVXKH-UHFFFAOYSA-N
XLogP2.07
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohepta-2,7-diene-1,2-dicarbonitrile?
The IUPAC name of cyclohepta-2,7-diene-1,2-dicarbonitrile (CID 135275572) is cyclohepta-2,7-diene-1,2-dicarbonitrile.
What is the SMILES notation for cyclohepta-2,7-diene-1,2-dicarbonitrile?
The canonical SMILES for cyclohepta-2,7-diene-1,2-dicarbonitrile is N#CC1=CCCCC=C1C#N.
What is the InChIKey of cyclohepta-2,7-diene-1,2-dicarbonitrile?
The InChIKey is WVHXLJKGNTVXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c10-6-8-4-2-1-3-5-9(8)7-11/h4-5H,1-3H2.
What are the key properties of cyclohepta-2,7-diene-1,2-dicarbonitrile?
cyclohepta-2,7-diene-1,2-dicarbonitrile has a molecular weight of 144.18 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-2,7-diene-1,2-dicarbonitrile is sourced from PubChem (CID 135275572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).