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

C16H13NO — CID 87730255

IUPAC(6Z,10aZ,12E)-1-methoxybenzo[c][1]benzazocine
SMILESCOc1cccc2/c1=C\C=c1\cccc\c1=C\N=2
InChIInChI=1S/C16H13NO/c1-18-16-8-4-7-15-14(16)10-9-12-5-2-3-6-13(12)11-17-15/h2-11H,1H3/b10-9-,12-9-,13-11-,14-10+,17-11-,17-15-
InChIKeyHWEZMHGMCWPGGT-IEAUELPZSA-N
MW235.29 g/mol
LogP0.33
Rot. Bonds1

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

(6Z,10aZ,12E)-1-methoxybenzo[c][1]benzazocine (PubChem CID 87730255) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is (6Z,10aZ,12E)-1-methoxybenzo[c][1]benzazocine.

Molecular Properties

Compound Name(6Z,10aZ,12E)-1-methoxybenzo[c][1]benzazocine
PubChem CID87730255
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name(6Z,10aZ,12E)-1-methoxybenzo[c][1]benzazocine
SMILESCOc1cccc2/c1=C\C=c1\cccc\c1=C\N=2
InChIInChI=1S/C16H13NO/c1-18-16-8-4-7-15-14(16)10-9-12-5-2-3-6-13(12)11-17-15/h2-11H,1H3/b10-9-,12-9-,13-11-,14-10+,17-11-,17-15-
InChIKeyHWEZMHGMCWPGGT-IEAUELPZSA-N
XLogP0.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6Z,10aZ,12E)-1-methoxybenzo[c][1]benzazocine?
The IUPAC name of (6Z,10aZ,12E)-1-methoxybenzo[c][1]benzazocine (CID 87730255) is (6Z,10aZ,12E)-1-methoxybenzo[c][1]benzazocine.
What is the SMILES notation for (6Z,10aZ,12E)-1-methoxybenzo[c][1]benzazocine?
The canonical SMILES for (6Z,10aZ,12E)-1-methoxybenzo[c][1]benzazocine is COc1cccc2/c1=C\C=c1\cccc\c1=C\N=2.
What is the InChIKey of (6Z,10aZ,12E)-1-methoxybenzo[c][1]benzazocine?
The InChIKey is HWEZMHGMCWPGGT-IEAUELPZSA-N. The full InChI is InChI=1S/C16H13NO/c1-18-16-8-4-7-15-14(16)10-9-12-5-2-3-6-13(12)11-17-15/h2-11H,1H3/b10-9-,12-9-,13-11-,14-10+,17-11-,17-15-.
What are the key properties of (6Z,10aZ,12E)-1-methoxybenzo[c][1]benzazocine?
(6Z,10aZ,12E)-1-methoxybenzo[c][1]benzazocine has a molecular weight of 235.29 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,10aZ,12E)-1-methoxybenzo[c][1]benzazocine is sourced from PubChem (CID 87730255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).