cyclohexa-2,4-dien-1-imine;hydrochloride

C6H8ClN — CID 66587068

IUPACcyclohexa-2,4-dien-1-imine;hydrochloride
SMILESCl.[H]/N=C1/C=CC=CC1
InChIInChI=1S/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-4,7H,5H2;1H/b7-6-;
InChIKeyXQKXFROBGKWYBQ-NAFXZHHSSA-N
MW129.59 g/mol
LogP1.94
Rot. Bonds

About cyclohexa-2,4-dien-1-imine;hydrochloride

cyclohexa-2,4-dien-1-imine;hydrochloride (PubChem CID 66587068) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-imine;hydrochloride.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-imine;hydrochloride
PubChem CID66587068
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Namecyclohexa-2,4-dien-1-imine;hydrochloride
SMILESCl.[H]/N=C1/C=CC=CC1
InChIInChI=1S/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-4,7H,5H2;1H/b7-6-;
InChIKeyXQKXFROBGKWYBQ-NAFXZHHSSA-N
XLogP1.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-imine;hydrochloride?
The IUPAC name of cyclohexa-2,4-dien-1-imine;hydrochloride (CID 66587068) is cyclohexa-2,4-dien-1-imine;hydrochloride.
What is the SMILES notation for cyclohexa-2,4-dien-1-imine;hydrochloride?
The canonical SMILES for cyclohexa-2,4-dien-1-imine;hydrochloride is Cl.[H]/N=C1/C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-dien-1-imine;hydrochloride?
The InChIKey is XQKXFROBGKWYBQ-NAFXZHHSSA-N. The full InChI is InChI=1S/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-4,7H,5H2;1H/b7-6-;.
What are the key properties of cyclohexa-2,4-dien-1-imine;hydrochloride?
cyclohexa-2,4-dien-1-imine;hydrochloride has a molecular weight of 129.59 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-imine;hydrochloride is sourced from PubChem (CID 66587068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).