(2Z,4Z,6Z)-1-benzazocin-9-ol;hydrochloride

C11H10ClNO — CID 137224652

IUPAC(2Z,4Z,6Z)-1-benzazocin-9-ol;hydrochloride
SMILESCl.Oc1ccc2/c(c1)=N\C=C/C=C\C=2
InChIInChI=1S/C11H9NO.ClH/c13-10-6-5-9-4-2-1-3-7-12-11(9)8-10;/h1-8,13H;1H/b2-1-,3-1-,4-2-,7-3-,9-4-,12-7-,12-11-;
InChIKeyBWBMDSGCJLMYBV-GJMYTFHASA-N
MW207.66 g/mol
LogP1.30
Rot. Bonds

About (2Z,4Z,6Z)-1-benzazocin-9-ol;hydrochloride

(2Z,4Z,6Z)-1-benzazocin-9-ol;hydrochloride (PubChem CID 137224652) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is (2Z,4Z,6Z)-1-benzazocin-9-ol;hydrochloride.

Molecular Properties

Compound Name(2Z,4Z,6Z)-1-benzazocin-9-ol;hydrochloride
PubChem CID137224652
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name(2Z,4Z,6Z)-1-benzazocin-9-ol;hydrochloride
SMILESCl.Oc1ccc2/c(c1)=N\C=C/C=C\C=2
InChIInChI=1S/C11H9NO.ClH/c13-10-6-5-9-4-2-1-3-7-12-11(9)8-10;/h1-8,13H;1H/b2-1-,3-1-,4-2-,7-3-,9-4-,12-7-,12-11-;
InChIKeyBWBMDSGCJLMYBV-GJMYTFHASA-N
XLogP1.30
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2Z,4Z,6Z)-1-benzazocin-9-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-1-benzazocin-9-ol;hydrochloride?
The IUPAC name of (2Z,4Z,6Z)-1-benzazocin-9-ol;hydrochloride (CID 137224652) is (2Z,4Z,6Z)-1-benzazocin-9-ol;hydrochloride.
What is the SMILES notation for (2Z,4Z,6Z)-1-benzazocin-9-ol;hydrochloride?
The canonical SMILES for (2Z,4Z,6Z)-1-benzazocin-9-ol;hydrochloride is Cl.Oc1ccc2/c(c1)=N\C=C/C=C\C=2.
What is the InChIKey of (2Z,4Z,6Z)-1-benzazocin-9-ol;hydrochloride?
The InChIKey is BWBMDSGCJLMYBV-GJMYTFHASA-N. The full InChI is InChI=1S/C11H9NO.ClH/c13-10-6-5-9-4-2-1-3-7-12-11(9)8-10;/h1-8,13H;1H/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-9-ol;hydrochloride?
(2Z,4Z,6Z)-1-benzazocin-9-ol;hydrochloride has a molecular weight of 207.66 g/mol, XLogP of 1.30, 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-9-ol;hydrochloride is sourced from PubChem (CID 137224652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).