(4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine

C16H14N2O2 — CID 11969551

IUPAC(4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine
SMILESCOC1=c2\cccc\c2=N\C(OC)=c2\cccc\c2=N\1
InChIInChI=1S/C16H14N2O2/c1-19-15-11-7-3-5-9-13(11)18-16(20-2)12-8-4-6-10-14(12)17-15/h3-10H,1-2H3/b15-11+,16-12+,17-14-,17-15+,18-13-,18-16+
InChIKeyRJMHPHCIUCCUNR-BWWDPLPUSA-N
MW266.30 g/mol
LogP0.06
Rot. Bonds2

About (4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine

(4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine (PubChem CID 11969551) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine.

Molecular Properties

Compound Name(4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine
PubChem CID11969551
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine
SMILESCOC1=c2\cccc\c2=N\C(OC)=c2\cccc\c2=N\1
InChIInChI=1S/C16H14N2O2/c1-19-15-11-7-3-5-9-13(11)18-16(20-2)12-8-4-6-10-14(12)17-15/h3-10H,1-2H3/b15-11+,16-12+,17-14-,17-15+,18-13-,18-16+
InChIKeyRJMHPHCIUCCUNR-BWWDPLPUSA-N
XLogP0.06
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine?
The IUPAC name of (4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine (CID 11969551) is (4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine.
What is the SMILES notation for (4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine?
The canonical SMILES for (4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine is COC1=c2\cccc\c2=N\C(OC)=c2\cccc\c2=N\1.
What is the InChIKey of (4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine?
The InChIKey is RJMHPHCIUCCUNR-BWWDPLPUSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-19-15-11-7-3-5-9-13(11)18-16(20-2)12-8-4-6-10-14(12)17-15/h3-10H,1-2H3/b15-11+,16-12+,17-14-,17-15+,18-13-,18-16+.
What are the key properties of (4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine?
(4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine has a molecular weight of 266.30 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine is sourced from PubChem (CID 11969551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).