bicyclo[2.2.1]hept-5-ene-2,3-diimine

C7H8N2 — CID 135324398

IUPACbicyclo[2.2.1]hept-5-ene-2,3-diimine
SMILES[H]/N=C1C(=N/[H])/C2C=CC/1C2
InChIInChI=1S/C7H8N2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-5,8-9H,3H2/b8-6+,9-7+
InChIKeyCFNTYTNYGUKEJQ-CDJQDVQCSA-N
MW120.15 g/mol
LogP1.23
Rot. Bonds

About bicyclo[2.2.1]hept-5-ene-2,3-diimine

bicyclo[2.2.1]hept-5-ene-2,3-diimine (PubChem CID 135324398) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-5-ene-2,3-diimine.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-5-ene-2,3-diimine
PubChem CID135324398
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Namebicyclo[2.2.1]hept-5-ene-2,3-diimine
SMILES[H]/N=C1C(=N/[H])/C2C=CC/1C2
InChIInChI=1S/C7H8N2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-5,8-9H,3H2/b8-6+,9-7+
InChIKeyCFNTYTNYGUKEJQ-CDJQDVQCSA-N
XLogP1.23
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-5-ene-2,3-diimine?
The IUPAC name of bicyclo[2.2.1]hept-5-ene-2,3-diimine (CID 135324398) is bicyclo[2.2.1]hept-5-ene-2,3-diimine.
What is the SMILES notation for bicyclo[2.2.1]hept-5-ene-2,3-diimine?
The canonical SMILES for bicyclo[2.2.1]hept-5-ene-2,3-diimine is [H]/N=C1C(=N/[H])/C2C=CC/1C2.
What is the InChIKey of bicyclo[2.2.1]hept-5-ene-2,3-diimine?
The InChIKey is CFNTYTNYGUKEJQ-CDJQDVQCSA-N. The full InChI is InChI=1S/C7H8N2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-5,8-9H,3H2/b8-6+,9-7+.
What are the key properties of bicyclo[2.2.1]hept-5-ene-2,3-diimine?
bicyclo[2.2.1]hept-5-ene-2,3-diimine has a molecular weight of 120.15 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-5-ene-2,3-diimine is sourced from PubChem (CID 135324398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).