(3Z,5Z,7Z)-azocine;dihydrochloride

C7H9Cl2N — CID 139959973

IUPAC(3Z,5Z,7Z)-azocine;dihydrochloride
SMILESC1=C\C=C/N=C\C=C/1.Cl.Cl
InChIInChI=1S/C7H7N.2ClH/c1-2-4-6-8-7-5-3-1;;/h1-7H;2*1H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-;;
InChIKeyLVJPIPBZUAMKDZ-AJGJWCHWSA-N
MW178.06 g/mol
LogP2.54
Rot. Bonds

About (3Z,5Z,7Z)-azocine;dihydrochloride

(3Z,5Z,7Z)-azocine;dihydrochloride (PubChem CID 139959973) has the molecular formula C7H9Cl2N and a molecular weight of 178.06 g/mol. Its IUPAC name is (3Z,5Z,7Z)-azocine;dihydrochloride.

Molecular Properties

Compound Name(3Z,5Z,7Z)-azocine;dihydrochloride
PubChem CID139959973
Molecular FormulaC7H9Cl2N
Molecular Weight178.06 g/mol
Exact Mass177.01
IUPAC Name(3Z,5Z,7Z)-azocine;dihydrochloride
SMILESC1=C\C=C/N=C\C=C/1.Cl.Cl
InChIInChI=1S/C7H7N.2ClH/c1-2-4-6-8-7-5-3-1;;/h1-7H;2*1H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-;;
InChIKeyLVJPIPBZUAMKDZ-AJGJWCHWSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3Z,5Z,7Z)-azocine;dihydrochloride 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 (3Z,5Z,7Z)-azocine;dihydrochloride?
The IUPAC name of (3Z,5Z,7Z)-azocine;dihydrochloride (CID 139959973) is (3Z,5Z,7Z)-azocine;dihydrochloride.
What is the SMILES notation for (3Z,5Z,7Z)-azocine;dihydrochloride?
The canonical SMILES for (3Z,5Z,7Z)-azocine;dihydrochloride is C1=C\C=C/N=C\C=C/1.Cl.Cl.
What is the InChIKey of (3Z,5Z,7Z)-azocine;dihydrochloride?
The InChIKey is LVJPIPBZUAMKDZ-AJGJWCHWSA-N. The full InChI is InChI=1S/C7H7N.2ClH/c1-2-4-6-8-7-5-3-1;;/h1-7H;2*1H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-;;.
What are the key properties of (3Z,5Z,7Z)-azocine;dihydrochloride?
(3Z,5Z,7Z)-azocine;dihydrochloride has a molecular weight of 178.06 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-azocine;dihydrochloride is sourced from PubChem (CID 139959973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).