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

C10H8N2 — CID 23637711

IUPAC(2Z,6Z)-1,4-benzodiazocine
SMILESC1=C\N=c2\cccc\c2=C\C=N/1
InChIInChI=1S/C10H8N2/c1-2-4-10-9(3-1)5-6-11-7-8-12-10/h1-8H/b6-5-,8-7-,9-5-,11-6-,11-7-,12-8-,12-10-
InChIKeyPXPHCHJRHCHFGZ-BWQDQPPOSA-N
MW156.19 g/mol
LogP0.64
Rot. Bonds

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

(2Z,6Z)-1,4-benzodiazocine (PubChem CID 23637711) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is (2Z,6Z)-1,4-benzodiazocine.

Molecular Properties

Compound Name(2Z,6Z)-1,4-benzodiazocine
PubChem CID23637711
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name(2Z,6Z)-1,4-benzodiazocine
SMILESC1=C\N=c2\cccc\c2=C\C=N/1
InChIInChI=1S/C10H8N2/c1-2-4-10-9(3-1)5-6-11-7-8-12-10/h1-8H/b6-5-,8-7-,9-5-,11-6-,11-7-,12-8-,12-10-
InChIKeyPXPHCHJRHCHFGZ-BWQDQPPOSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z,6Z)-1,4-benzodiazocine?
The IUPAC name of (2Z,6Z)-1,4-benzodiazocine (CID 23637711) is (2Z,6Z)-1,4-benzodiazocine.
What is the SMILES notation for (2Z,6Z)-1,4-benzodiazocine?
The canonical SMILES for (2Z,6Z)-1,4-benzodiazocine is C1=C\N=c2\cccc\c2=C\C=N/1.
What is the InChIKey of (2Z,6Z)-1,4-benzodiazocine?
The InChIKey is PXPHCHJRHCHFGZ-BWQDQPPOSA-N. The full InChI is InChI=1S/C10H8N2/c1-2-4-10-9(3-1)5-6-11-7-8-12-10/h1-8H/b6-5-,8-7-,9-5-,11-6-,11-7-,12-8-,12-10-.
What are the key properties of (2Z,6Z)-1,4-benzodiazocine?
(2Z,6Z)-1,4-benzodiazocine has a molecular weight of 156.19 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-1,4-benzodiazocine is sourced from PubChem (CID 23637711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).