azepin-2-imine;hydrochloride

C6H7ClN2 — CID 140986438

IUPACazepin-2-imine;hydrochloride
SMILESCl.[H]/N=c1\cccccn1
InChIInChI=1S/C6H6N2.ClH/c7-6-4-2-1-3-5-8-6;/h1-5,7H;1H/b7-6+;
InChIKeyUZNGZXBQGMPYJJ-UHDJGPCESA-N
MW142.59 g/mol
LogP0.98
Rot. Bonds

About azepin-2-imine;hydrochloride

azepin-2-imine;hydrochloride (PubChem CID 140986438) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is azepin-2-imine;hydrochloride.

Molecular Properties

Compound Nameazepin-2-imine;hydrochloride
PubChem CID140986438
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Nameazepin-2-imine;hydrochloride
SMILESCl.[H]/N=c1\cccccn1
InChIInChI=1S/C6H6N2.ClH/c7-6-4-2-1-3-5-8-6;/h1-5,7H;1H/b7-6+;
InChIKeyUZNGZXBQGMPYJJ-UHDJGPCESA-N
XLogP0.98
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepin-2-imine;hydrochloride?
The IUPAC name of azepin-2-imine;hydrochloride (CID 140986438) is azepin-2-imine;hydrochloride.
What is the SMILES notation for azepin-2-imine;hydrochloride?
The canonical SMILES for azepin-2-imine;hydrochloride is Cl.[H]/N=c1\cccccn1.
What is the InChIKey of azepin-2-imine;hydrochloride?
The InChIKey is UZNGZXBQGMPYJJ-UHDJGPCESA-N. The full InChI is InChI=1S/C6H6N2.ClH/c7-6-4-2-1-3-5-8-6;/h1-5,7H;1H/b7-6+;.
What are the key properties of azepin-2-imine;hydrochloride?
azepin-2-imine;hydrochloride has a molecular weight of 142.59 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepin-2-imine;hydrochloride is sourced from PubChem (CID 140986438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).