(7Z)-3,4,5,6-tetrahydrodiazocine

C6H10N2 — CID 68502217

IUPAC(7Z)-3,4,5,6-tetrahydrodiazocine
SMILESC1=C\N=N/CCCC/1
InChIInChI=1S/C6H10N2/c1-2-4-6-8-7-5-3-1/h3,5H,1-2,4,6H2/b5-3-,8-7-
InChIKeyVXHZTGWDKDKTKI-OVRZELKPSA-N
MW110.16 g/mol
LogP2.14
Rot. Bonds

About (7Z)-3,4,5,6-tetrahydrodiazocine

(7Z)-3,4,5,6-tetrahydrodiazocine (PubChem CID 68502217) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (7Z)-3,4,5,6-tetrahydrodiazocine.

Molecular Properties

Compound Name(7Z)-3,4,5,6-tetrahydrodiazocine
PubChem CID68502217
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(7Z)-3,4,5,6-tetrahydrodiazocine
SMILESC1=C\N=N/CCCC/1
InChIInChI=1S/C6H10N2/c1-2-4-6-8-7-5-3-1/h3,5H,1-2,4,6H2/b5-3-,8-7-
InChIKeyVXHZTGWDKDKTKI-OVRZELKPSA-N
XLogP2.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5,6-tetrahydroazocine
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(1E,7E)-cyclododeca-1,7-diene
CID 6477773
1,2-dithia-3,4-diazacycloundeca-3,10-diene
CID 91174110
cyclopentadecene
CID 5463009
(1E)-cyclooctadeca-1,8-diene
CID 173129359
(5Z)-cyclodeca-1,5-diene
CID 97293620
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638
cyclopentadeca-1,7-diene
CID 154173092
(1Z,9E)-cyclooctadeca-1,9-diene
CID 143896650
(7Z)-cyclohexadeca-1,7-diene
CID 173129118
cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine
CID 158937421

Frequently Asked Questions

What is the IUPAC name of (7Z)-3,4,5,6-tetrahydrodiazocine?
The IUPAC name of (7Z)-3,4,5,6-tetrahydrodiazocine (CID 68502217) is (7Z)-3,4,5,6-tetrahydrodiazocine.
What is the SMILES notation for (7Z)-3,4,5,6-tetrahydrodiazocine?
The canonical SMILES for (7Z)-3,4,5,6-tetrahydrodiazocine is C1=C\N=N/CCCC/1.
What is the InChIKey of (7Z)-3,4,5,6-tetrahydrodiazocine?
The InChIKey is VXHZTGWDKDKTKI-OVRZELKPSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-4-6-8-7-5-3-1/h3,5H,1-2,4,6H2/b5-3-,8-7-.
What are the key properties of (7Z)-3,4,5,6-tetrahydrodiazocine?
(7Z)-3,4,5,6-tetrahydrodiazocine has a molecular weight of 110.16 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-3,4,5,6-tetrahydrodiazocine is sourced from PubChem (CID 68502217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).