(6Z,10aZ,12Z)-benzo[c][1]benzazocine

C15H11N — CID 23633137

IUPAC(6Z,10aZ,12Z)-benzo[c][1]benzazocine
SMILESC1=c2/cccc/c2=C/N=c2/cccc/c2=C/1
InChIInChI=1S/C15H11N/c1-2-7-14-11-16-15-8-4-3-6-13(15)10-9-12(14)5-1/h1-11H/b10-9-,12-9-,13-10-,14-11-,16-11-,16-15-
InChIKeyTUXXZUHPSDXAGI-VIBDWGJKSA-N
MW205.26 g/mol
LogP0.32
Rot. Bonds

About (6Z,10aZ,12Z)-benzo[c][1]benzazocine

(6Z,10aZ,12Z)-benzo[c][1]benzazocine (PubChem CID 23633137) has the molecular formula C15H11N and a molecular weight of 205.26 g/mol. Its IUPAC name is (6Z,10aZ,12Z)-benzo[c][1]benzazocine.

Molecular Properties

Compound Name(6Z,10aZ,12Z)-benzo[c][1]benzazocine
PubChem CID23633137
Molecular FormulaC15H11N
Molecular Weight205.26 g/mol
Exact Mass205.09
IUPAC Name(6Z,10aZ,12Z)-benzo[c][1]benzazocine
SMILESC1=c2/cccc/c2=C/N=c2/cccc/c2=C/1
InChIInChI=1S/C15H11N/c1-2-7-14-11-16-15-8-4-3-6-13(15)10-9-12(14)5-1/h1-11H/b10-9-,12-9-,13-10-,14-11-,16-11-,16-15-
InChIKeyTUXXZUHPSDXAGI-VIBDWGJKSA-N
XLogP0.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (6Z,10aZ,12Z)-benzo[c][1]benzazocine?
The IUPAC name of (6Z,10aZ,12Z)-benzo[c][1]benzazocine (CID 23633137) is (6Z,10aZ,12Z)-benzo[c][1]benzazocine.
What is the SMILES notation for (6Z,10aZ,12Z)-benzo[c][1]benzazocine?
The canonical SMILES for (6Z,10aZ,12Z)-benzo[c][1]benzazocine is C1=c2/cccc/c2=C/N=c2/cccc/c2=C/1.
What is the InChIKey of (6Z,10aZ,12Z)-benzo[c][1]benzazocine?
The InChIKey is TUXXZUHPSDXAGI-VIBDWGJKSA-N. The full InChI is InChI=1S/C15H11N/c1-2-7-14-11-16-15-8-4-3-6-13(15)10-9-12(14)5-1/h1-11H/b10-9-,12-9-,13-10-,14-11-,16-11-,16-15-.
What are the key properties of (6Z,10aZ,12Z)-benzo[c][1]benzazocine?
(6Z,10aZ,12Z)-benzo[c][1]benzazocine has a molecular weight of 205.26 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,10aZ,12Z)-benzo[c][1]benzazocine is sourced from PubChem (CID 23633137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).