azonin-2-one;hydrochloride

C8H8ClNO — CID 175863726

IUPACazonin-2-one;hydrochloride
SMILESCl.O=C1C=CC=CC=C/C=N\1
InChIInChI=1S/C8H7NO.ClH/c10-8-6-4-2-1-3-5-7-9-8;/h1-7H;1H/b2-1?,5-3?,6-4?,9-7-;
InChIKeyLJUJAJCGDSMXHE-SNXPOKIWSA-N
MW169.61 g/mol
LogP1.69
Rot. Bonds

About azonin-2-one;hydrochloride

azonin-2-one;hydrochloride (PubChem CID 175863726) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is azonin-2-one;hydrochloride.

Molecular Properties

Compound Nameazonin-2-one;hydrochloride
PubChem CID175863726
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Nameazonin-2-one;hydrochloride
SMILESCl.O=C1C=CC=CC=C/C=N\1
InChIInChI=1S/C8H7NO.ClH/c10-8-6-4-2-1-3-5-7-9-8;/h1-7H;1H/b2-1?,5-3?,6-4?,9-7-;
InChIKeyLJUJAJCGDSMXHE-SNXPOKIWSA-N
XLogP1.69
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azonin-2-one;hydrochloride?
The IUPAC name of azonin-2-one;hydrochloride (CID 175863726) is azonin-2-one;hydrochloride.
What is the SMILES notation for azonin-2-one;hydrochloride?
The canonical SMILES for azonin-2-one;hydrochloride is Cl.O=C1C=CC=CC=C/C=N\1.
What is the InChIKey of azonin-2-one;hydrochloride?
The InChIKey is LJUJAJCGDSMXHE-SNXPOKIWSA-N. The full InChI is InChI=1S/C8H7NO.ClH/c10-8-6-4-2-1-3-5-7-9-8;/h1-7H;1H/b2-1?,5-3?,6-4?,9-7-;.
What are the key properties of azonin-2-one;hydrochloride?
azonin-2-one;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azonin-2-one;hydrochloride is sourced from PubChem (CID 175863726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).