2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile

C10H8N2 — CID 13497447

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile
SMILESN#CC(C#N)=C1CC2C=CC1C2
InChIInChI=1S/C10H8N2/c11-5-9(6-12)10-4-7-1-2-8(10)3-7/h1-2,7-8H,3-4H2
InChIKeyRAYFTPRVTYJQOF-UHFFFAOYSA-N
MW156.19 g/mol
LogP1.93
Rot. Bonds

About 2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile

2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile (PubChem CID 13497447) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile
PubChem CID13497447
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile
SMILESN#CC(C#N)=C1CC2C=CC1C2
InChIInChI=1S/C10H8N2/c11-5-9(6-12)10-4-7-1-2-8(10)3-7/h1-2,7-8H,3-4H2
InChIKeyRAYFTPRVTYJQOF-UHFFFAOYSA-N
XLogP1.93
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile (CID 13497447) is 2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile is N#CC(C#N)=C1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile?
The InChIKey is RAYFTPRVTYJQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c11-5-9(6-12)10-4-7-1-2-8(10)3-7/h1-2,7-8H,3-4H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile?
2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile has a molecular weight of 156.19 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enylidene)propanedinitrile is sourced from PubChem (CID 13497447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).