(3Z,7Z)-1,5-diazocine

C6H6N2 — CID 18539309

IUPAC(3Z,7Z)-1,5-diazocine
SMILESC1=C\N=C/C=C\N=C/1
InChIInChI=1S/C6H6N2/c1-3-7-5-2-6-8-4-1/h1-6H/b3-1-,4-1-,5-2-,6-2-,7-3-,7-5-,8-4-,8-6-
InChIKeyLLLMDRXIQZOTJE-USVFKJFRSA-N
MW106.13 g/mol
LogP1.17
Rot. Bonds

About (3Z,7Z)-1,5-diazocine

(3Z,7Z)-1,5-diazocine (PubChem CID 18539309) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is (3Z,7Z)-1,5-diazocine.

Molecular Properties

Compound Name(3Z,7Z)-1,5-diazocine
PubChem CID18539309
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name(3Z,7Z)-1,5-diazocine
SMILESC1=C\N=C/C=C\N=C/1
InChIInChI=1S/C6H6N2/c1-3-7-5-2-6-8-4-1/h1-6H/b3-1-,4-1-,5-2-,6-2-,7-3-,7-5-,8-4-,8-6-
InChIKeyLLLMDRXIQZOTJE-USVFKJFRSA-N
XLogP1.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-1,5-diazocine?
The IUPAC name of (3Z,7Z)-1,5-diazocine (CID 18539309) is (3Z,7Z)-1,5-diazocine.
What is the SMILES notation for (3Z,7Z)-1,5-diazocine?
The canonical SMILES for (3Z,7Z)-1,5-diazocine is C1=C\N=C/C=C\N=C/1.
What is the InChIKey of (3Z,7Z)-1,5-diazocine?
The InChIKey is LLLMDRXIQZOTJE-USVFKJFRSA-N. The full InChI is InChI=1S/C6H6N2/c1-3-7-5-2-6-8-4-1/h1-6H/b3-1-,4-1-,5-2-,6-2-,7-3-,7-5-,8-4-,8-6-.
What are the key properties of (3Z,7Z)-1,5-diazocine?
(3Z,7Z)-1,5-diazocine has a molecular weight of 106.13 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-1,5-diazocine is sourced from PubChem (CID 18539309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).