4-methylidenehepta-2,5-dienedinitrile

C8H6N2 — CID 152631146

IUPAC4-methylidenehepta-2,5-dienedinitrile
SMILESC=C(C=CC#N)C=CC#N
InChIInChI=1S/C8H6N2/c1-8(4-2-6-9)5-3-7-10/h2-5H,1H2
InChIKeyZDOAQOGFGZDGQU-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.70
Rot. Bonds2

About 4-methylidenehepta-2,5-dienedinitrile

4-methylidenehepta-2,5-dienedinitrile (PubChem CID 152631146) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 4-methylidenehepta-2,5-dienedinitrile.

Molecular Properties

Compound Name4-methylidenehepta-2,5-dienedinitrile
PubChem CID152631146
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Name4-methylidenehepta-2,5-dienedinitrile
SMILESC=C(C=CC#N)C=CC#N
InChIInChI=1S/C8H6N2/c1-8(4-2-6-9)5-3-7-10/h2-5H,1H2
InChIKeyZDOAQOGFGZDGQU-UHFFFAOYSA-N
XLogP1.70
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidenehepta-2,5-dienedinitrile?
The IUPAC name of 4-methylidenehepta-2,5-dienedinitrile (CID 152631146) is 4-methylidenehepta-2,5-dienedinitrile.
What is the SMILES notation for 4-methylidenehepta-2,5-dienedinitrile?
The canonical SMILES for 4-methylidenehepta-2,5-dienedinitrile is C=C(C=CC#N)C=CC#N.
What is the InChIKey of 4-methylidenehepta-2,5-dienedinitrile?
The InChIKey is ZDOAQOGFGZDGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-8(4-2-6-9)5-3-7-10/h2-5H,1H2.
What are the key properties of 4-methylidenehepta-2,5-dienedinitrile?
4-methylidenehepta-2,5-dienedinitrile has a molecular weight of 130.15 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenehepta-2,5-dienedinitrile is sourced from PubChem (CID 152631146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).