(6Z)-2,5-dihydro-1,3-diazocine

C6H8N2 — CID 91233278

IUPAC(6Z)-2,5-dihydro-1,3-diazocine
SMILESC1=NCN=CC/C=C\1
InChIInChI=1S/C6H8N2/c1-2-4-7-6-8-5-3-1/h1-2,4-5H,3,6H2/b2-1-,7-4?,8-5?
InChIKeyVDTGBJFJAXLXRH-KFADVSASSA-N
MW108.14 g/mol
LogP1.05
Rot. Bonds

About (6Z)-2,5-dihydro-1,3-diazocine

(6Z)-2,5-dihydro-1,3-diazocine (PubChem CID 91233278) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is (6Z)-2,5-dihydro-1,3-diazocine.

Molecular Properties

Compound Name(6Z)-2,5-dihydro-1,3-diazocine
PubChem CID91233278
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name(6Z)-2,5-dihydro-1,3-diazocine
SMILESC1=NCN=CC/C=C\1
InChIInChI=1S/C6H8N2/c1-2-4-7-6-8-5-3-1/h1-2,4-5H,3,6H2/b2-1-,7-4?,8-5?
InChIKeyVDTGBJFJAXLXRH-KFADVSASSA-N
XLogP1.05
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6Z)-2,5-dihydro-1,3-diazocine?
The IUPAC name of (6Z)-2,5-dihydro-1,3-diazocine (CID 91233278) is (6Z)-2,5-dihydro-1,3-diazocine.
What is the SMILES notation for (6Z)-2,5-dihydro-1,3-diazocine?
The canonical SMILES for (6Z)-2,5-dihydro-1,3-diazocine is C1=NCN=CC/C=C\1.
What is the InChIKey of (6Z)-2,5-dihydro-1,3-diazocine?
The InChIKey is VDTGBJFJAXLXRH-KFADVSASSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-4-7-6-8-5-3-1/h1-2,4-5H,3,6H2/b2-1-,7-4?,8-5?.
What are the key properties of (6Z)-2,5-dihydro-1,3-diazocine?
(6Z)-2,5-dihydro-1,3-diazocine has a molecular weight of 108.14 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2,5-dihydro-1,3-diazocine is sourced from PubChem (CID 91233278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).