(6Z)-4,5-dihydro-1,3-diazocine

C6H8N2 — CID 155899101

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

About (6Z)-4,5-dihydro-1,3-diazocine

(6Z)-4,5-dihydro-1,3-diazocine (PubChem CID 155899101) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is (6Z)-4,5-dihydro-1,3-diazocine.

Molecular Properties

Compound Name(6Z)-4,5-dihydro-1,3-diazocine
PubChem CID155899101
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name(6Z)-4,5-dihydro-1,3-diazocine
SMILESC1=C\CC/N=C\N=C/1
InChIInChI=1S/C6H8N2/c1-2-4-7-6-8-5-3-1/h1-2,4,6H,3,5H2/b2-1-,7-4-,8-6-
InChIKeyVJKKGLSGDOECLF-IIUNQYICSA-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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Related Compounds

(6Z)-2,5-dihydro-1,3-diazocine
CID 91233278
(3E,6Z)-N-propyl-5H-azocin-2-imine
CID 123511104
N'-methyl-N-[(Z)-pent-3-en-2-ylidene]methanimidamide
CID 130312375
N'-methyl-N-[(E)-4-methylpent-2-enylidene]methanimidamide
CID 132243203
N-[(Z)-pent-2-enylidene]methanimidamide
CID 142302300
4,5-Dihydro-1,3-diazocine
CID 164032779
(4R)-4-methyl-4H-1,3-diazepine
CID 170153763
8,8-Dideuterio-1,3,5-triazacycloundeca-2,4,6,9,11-pentaene
CID 175900224
N-[(1Z,6Z)-2,5-dihydroazocin-2-yl]methanimine
CID 141782866
(3Z)-2,5-dihydroazocine
CID 143413187
(1Z)-2-chloro-4,7-dihydro-1,3-diazocine
CID 143596783
N'-methyl-N-[(E)-pent-3-en-2-ylidene]methanimidamide
CID 144020350

Frequently Asked Questions

What is the IUPAC name of (6Z)-4,5-dihydro-1,3-diazocine?
The IUPAC name of (6Z)-4,5-dihydro-1,3-diazocine (CID 155899101) is (6Z)-4,5-dihydro-1,3-diazocine.
What is the SMILES notation for (6Z)-4,5-dihydro-1,3-diazocine?
The canonical SMILES for (6Z)-4,5-dihydro-1,3-diazocine is C1=C\CC/N=C\N=C/1.
What is the InChIKey of (6Z)-4,5-dihydro-1,3-diazocine?
The InChIKey is VJKKGLSGDOECLF-IIUNQYICSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-4-7-6-8-5-3-1/h1-2,4,6H,3,5H2/b2-1-,7-4-,8-6-.
What are the key properties of (6Z)-4,5-dihydro-1,3-diazocine?
(6Z)-4,5-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)-4,5-dihydro-1,3-diazocine is sourced from PubChem (CID 155899101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).