(1Z,4Z,6Z)-2,3-benzodiazocine

C10H8N2 — CID 121232920

IUPAC(1Z,4Z,6Z)-2,3-benzodiazocine
SMILESC1=C\N=N/C=c2/cccc/c2=C/1
InChIInChI=1S/C10H8N2/c1-2-5-10-8-12-11-7-3-6-9(10)4-1/h1-8H/b6-3-,7-3-,9-6-,10-8-,11-7-,12-8-,12-11-
InChIKeyVRZOZJRPYJYBAA-JPWXTKTPSA-N
MW156.19 g/mol
LogP1.18
Rot. Bonds

About (1Z,4Z,6Z)-2,3-benzodiazocine

(1Z,4Z,6Z)-2,3-benzodiazocine (PubChem CID 121232920) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is (1Z,4Z,6Z)-2,3-benzodiazocine.

Molecular Properties

Compound Name(1Z,4Z,6Z)-2,3-benzodiazocine
PubChem CID121232920
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name(1Z,4Z,6Z)-2,3-benzodiazocine
SMILESC1=C\N=N/C=c2/cccc/c2=C/1
InChIInChI=1S/C10H8N2/c1-2-5-10-8-12-11-7-3-6-9(10)4-1/h1-8H/b6-3-,7-3-,9-6-,10-8-,11-7-,12-8-,12-11-
InChIKeyVRZOZJRPYJYBAA-JPWXTKTPSA-N
XLogP1.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z,4Z,6Z)-2,3-benzodiazocine?
The IUPAC name of (1Z,4Z,6Z)-2,3-benzodiazocine (CID 121232920) is (1Z,4Z,6Z)-2,3-benzodiazocine.
What is the SMILES notation for (1Z,4Z,6Z)-2,3-benzodiazocine?
The canonical SMILES for (1Z,4Z,6Z)-2,3-benzodiazocine is C1=C\N=N/C=c2/cccc/c2=C/1.
What is the InChIKey of (1Z,4Z,6Z)-2,3-benzodiazocine?
The InChIKey is VRZOZJRPYJYBAA-JPWXTKTPSA-N. The full InChI is InChI=1S/C10H8N2/c1-2-5-10-8-12-11-7-3-6-9(10)4-1/h1-8H/b6-3-,7-3-,9-6-,10-8-,11-7-,12-8-,12-11-.
What are the key properties of (1Z,4Z,6Z)-2,3-benzodiazocine?
(1Z,4Z,6Z)-2,3-benzodiazocine has a molecular weight of 156.19 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z,6Z)-2,3-benzodiazocine is sourced from PubChem (CID 121232920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).