(6Z,12Z)-1H-benzo[c][1,5]benzoxazocine

C14H11NO — CID 88711364

IUPAC(6Z,12Z)-1H-benzo[c][1,5]benzoxazocine
SMILESC1=CC/C2=C/N=c3/cccc/c3=C/OC2=C1
InChIInChI=1S/C14H11NO/c1-3-7-13-12(6-1)10-16-14-8-4-2-5-11(14)9-15-13/h1-4,6-10H,5H2/b11-9-,12-10-,15-13-
InChIKeyZULVODAKLRDMST-IYYSMCGGSA-N
MW209.25 g/mol
LogP1.80
Rot. Bonds

About (6Z,12Z)-1H-benzo[c][1,5]benzoxazocine

(6Z,12Z)-1H-benzo[c][1,5]benzoxazocine (PubChem CID 88711364) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is (6Z,12Z)-1H-benzo[c][1,5]benzoxazocine.

Molecular Properties

Compound Name(6Z,12Z)-1H-benzo[c][1,5]benzoxazocine
PubChem CID88711364
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name(6Z,12Z)-1H-benzo[c][1,5]benzoxazocine
SMILESC1=CC/C2=C/N=c3/cccc/c3=C/OC2=C1
InChIInChI=1S/C14H11NO/c1-3-7-13-12(6-1)10-16-14-8-4-2-5-11(14)9-15-13/h1-4,6-10H,5H2/b11-9-,12-10-,15-13-
InChIKeyZULVODAKLRDMST-IYYSMCGGSA-N
XLogP1.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6Z,12Z)-1H-benzo[c][1,5]benzoxazocine?
The IUPAC name of (6Z,12Z)-1H-benzo[c][1,5]benzoxazocine (CID 88711364) is (6Z,12Z)-1H-benzo[c][1,5]benzoxazocine.
What is the SMILES notation for (6Z,12Z)-1H-benzo[c][1,5]benzoxazocine?
The canonical SMILES for (6Z,12Z)-1H-benzo[c][1,5]benzoxazocine is C1=CC/C2=C/N=c3/cccc/c3=C/OC2=C1.
What is the InChIKey of (6Z,12Z)-1H-benzo[c][1,5]benzoxazocine?
The InChIKey is ZULVODAKLRDMST-IYYSMCGGSA-N. The full InChI is InChI=1S/C14H11NO/c1-3-7-13-12(6-1)10-16-14-8-4-2-5-11(14)9-15-13/h1-4,6-10H,5H2/b11-9-,12-10-,15-13-.
What are the key properties of (6Z,12Z)-1H-benzo[c][1,5]benzoxazocine?
(6Z,12Z)-1H-benzo[c][1,5]benzoxazocine has a molecular weight of 209.25 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,12Z)-1H-benzo[c][1,5]benzoxazocine is sourced from PubChem (CID 88711364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).