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

C15H12ClN — CID 23633136

IUPAC(6Z,10aZ,12Z)-benzo[c][1]benzazocine;hydrochloride
SMILESC1=c2/cccc/c2=C/N=c2/cccc/c2=C/1.Cl
InChIInChI=1S/C15H11N.ClH/c1-2-7-14-11-16-15-8-4-3-6-13(15)10-9-12(14)5-1;/h1-11H;1H/b10-9-,12-9-,13-10-,14-11-,16-11-,16-15-;
InChIKeyJMDRKRYAJIEJFU-CSCZKXIASA-N
MW241.72 g/mol
LogP0.74
Rot. Bonds

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

(6Z,10aZ,12Z)-benzo[c][1]benzazocine;hydrochloride (PubChem CID 23633136) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is (6Z,10aZ,12Z)-benzo[c][1]benzazocine;hydrochloride.

Molecular Properties

Compound Name(6Z,10aZ,12Z)-benzo[c][1]benzazocine;hydrochloride
PubChem CID23633136
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name(6Z,10aZ,12Z)-benzo[c][1]benzazocine;hydrochloride
SMILESC1=c2/cccc/c2=C/N=c2/cccc/c2=C/1.Cl
InChIInChI=1S/C15H11N.ClH/c1-2-7-14-11-16-15-8-4-3-6-13(15)10-9-12(14)5-1;/h1-11H;1H/b10-9-,12-9-,13-10-,14-11-,16-11-,16-15-;
InChIKeyJMDRKRYAJIEJFU-CSCZKXIASA-N
XLogP0.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrabenzo(B,D,H,J)(1,6)diazacyclododecine
CID 91869782
6,12-Dichlorobenzo[c][1,5]benzodiazocine
CID 13507302
(6Z,12Z)-benzo[c][1,5]benzodiazocine
CID 15960347
(1Z)-1-Benzazocine
CID 17846319
5H-Indole
CID 20712154
2H-1,4-Benzodiazepine
CID 21162934
3h-Quinoline
CID 22027752
Dibenz[b,f]azocine
CID 23633137
4-Methyl-2,3-dihydroquinoline
CID 68274032
10,11-Dihydro-dibenzazepine
CID 126697729
4,6-Dihydroquinoline
CID 129722681
Tetrabenzo(b,d,H,j)(1,6)-diaza-cyclododecine
CID 5379414

Frequently Asked Questions

What is the IUPAC name of (6Z,10aZ,12Z)-benzo[c][1]benzazocine;hydrochloride?
The IUPAC name of (6Z,10aZ,12Z)-benzo[c][1]benzazocine;hydrochloride (CID 23633136) is (6Z,10aZ,12Z)-benzo[c][1]benzazocine;hydrochloride.
What is the SMILES notation for (6Z,10aZ,12Z)-benzo[c][1]benzazocine;hydrochloride?
The canonical SMILES for (6Z,10aZ,12Z)-benzo[c][1]benzazocine;hydrochloride is C1=c2/cccc/c2=C/N=c2/cccc/c2=C/1.Cl.
What is the InChIKey of (6Z,10aZ,12Z)-benzo[c][1]benzazocine;hydrochloride?
The InChIKey is JMDRKRYAJIEJFU-CSCZKXIASA-N. The full InChI is InChI=1S/C15H11N.ClH/c1-2-7-14-11-16-15-8-4-3-6-13(15)10-9-12(14)5-1;/h1-11H;1H/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;hydrochloride?
(6Z,10aZ,12Z)-benzo[c][1]benzazocine;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 0.74, 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;hydrochloride is sourced from PubChem (CID 23633136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).