2,5-benzodiazocine

C10H8N2 — CID 54466007

IUPAC2,5-benzodiazocine
SMILESC1=c2ccccc2=C/N=C\C=N/1
InChIInChI=1S/C10H8N2/c1-2-4-10-8-12-6-5-11-7-9(10)3-1/h1-8H/b6-5-,9-7?,10-8?,11-5-,11-7?,12-6-,12-8?
InChIKeyXEXGJZPJUQVPBN-ATDLPCCOSA-N
MW156.19 g/mol
LogP0.32
Rot. Bonds

About 2,5-benzodiazocine

2,5-benzodiazocine (PubChem CID 54466007) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2,5-benzodiazocine.

Molecular Properties

Compound Name2,5-benzodiazocine
PubChem CID54466007
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name2,5-benzodiazocine
SMILESC1=c2ccccc2=C/N=C\C=N/1
InChIInChI=1S/C10H8N2/c1-2-4-10-8-12-6-5-11-7-9(10)3-1/h1-8H/b6-5-,9-7?,10-8?,11-5-,11-7?,12-6-,12-8?
InChIKeyXEXGJZPJUQVPBN-ATDLPCCOSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-benzodiazocine?
The IUPAC name of 2,5-benzodiazocine (CID 54466007) is 2,5-benzodiazocine.
What is the SMILES notation for 2,5-benzodiazocine?
The canonical SMILES for 2,5-benzodiazocine is C1=c2ccccc2=C/N=C\C=N/1.
What is the InChIKey of 2,5-benzodiazocine?
The InChIKey is XEXGJZPJUQVPBN-ATDLPCCOSA-N. The full InChI is InChI=1S/C10H8N2/c1-2-4-10-8-12-6-5-11-7-9(10)3-1/h1-8H/b6-5-,9-7?,10-8?,11-5-,11-7?,12-6-,12-8?.
What are the key properties of 2,5-benzodiazocine?
2,5-benzodiazocine has a molecular weight of 156.19 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-benzodiazocine is sourced from PubChem (CID 54466007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).