(2Z,4Z,6Z)-1-benzazocin-8-ol

C11H9NO — CID 23638151

IUPAC(2Z,4Z,6Z)-1-benzazocin-8-ol
SMILESOc1ccc2/c(c1)=C\C=C/C=C\N=2
InChIInChI=1S/C11H9NO/c13-10-5-6-11-9(8-10)4-2-1-3-7-12-11/h1-8,13H/b2-1-,3-1-,4-2-,7-3-,9-4-,12-7-,12-11-
InChIKeyFSELIVAAGQZVEM-SCSLEROHSA-N
MW171.20 g/mol
LogP0.88
Rot. Bonds

About (2Z,4Z,6Z)-1-benzazocin-8-ol

(2Z,4Z,6Z)-1-benzazocin-8-ol (PubChem CID 23638151) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is (2Z,4Z,6Z)-1-benzazocin-8-ol.

Molecular Properties

Compound Name(2Z,4Z,6Z)-1-benzazocin-8-ol
PubChem CID23638151
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name(2Z,4Z,6Z)-1-benzazocin-8-ol
SMILESOc1ccc2/c(c1)=C\C=C/C=C\N=2
InChIInChI=1S/C11H9NO/c13-10-5-6-11-9(8-10)4-2-1-3-7-12-11/h1-8,13H/b2-1-,3-1-,4-2-,7-3-,9-4-,12-7-,12-11-
InChIKeyFSELIVAAGQZVEM-SCSLEROHSA-N
XLogP0.88
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-1-benzazocin-8-ol?
The IUPAC name of (2Z,4Z,6Z)-1-benzazocin-8-ol (CID 23638151) is (2Z,4Z,6Z)-1-benzazocin-8-ol.
What is the SMILES notation for (2Z,4Z,6Z)-1-benzazocin-8-ol?
The canonical SMILES for (2Z,4Z,6Z)-1-benzazocin-8-ol is Oc1ccc2/c(c1)=C\C=C/C=C\N=2.
What is the InChIKey of (2Z,4Z,6Z)-1-benzazocin-8-ol?
The InChIKey is FSELIVAAGQZVEM-SCSLEROHSA-N. The full InChI is InChI=1S/C11H9NO/c13-10-5-6-11-9(8-10)4-2-1-3-7-12-11/h1-8,13H/b2-1-,3-1-,4-2-,7-3-,9-4-,12-7-,12-11-.
What are the key properties of (2Z,4Z,6Z)-1-benzazocin-8-ol?
(2Z,4Z,6Z)-1-benzazocin-8-ol has a molecular weight of 171.20 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-1-benzazocin-8-ol is sourced from PubChem (CID 23638151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).