1,7-diazaspiro[4.4]nonan-6-one;hydrochloride

C7H13ClN2O — CID 86686653

IUPAC1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
SMILESCl.O=C1NCCC12CCCN2
InChIInChI=1S/C7H12N2O.ClH/c10-6-7(3-5-8-6)2-1-4-9-7;/h9H,1-5H2,(H,8,10);1H
InChIKeyJSJBFUIXXKBVPA-UHFFFAOYSA-N
MW176.65 g/mol
LogP0.05
Rot. Bonds

About 1,7-diazaspiro[4.4]nonan-6-one;hydrochloride

1,7-diazaspiro[4.4]nonan-6-one;hydrochloride (PubChem CID 86686653) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is 1,7-diazaspiro[4.4]nonan-6-one;hydrochloride.

Molecular Properties

Compound Name1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
PubChem CID86686653
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
SMILESCl.O=C1NCCC12CCCN2
InChIInChI=1S/C7H12N2O.ClH/c10-6-7(3-5-8-6)2-1-4-9-7;/h9H,1-5H2,(H,8,10);1H
InChIKeyJSJBFUIXXKBVPA-UHFFFAOYSA-N
XLogP0.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The IUPAC name of 1,7-diazaspiro[4.4]nonan-6-one;hydrochloride (CID 86686653) is 1,7-diazaspiro[4.4]nonan-6-one;hydrochloride.
What is the SMILES notation for 1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The canonical SMILES for 1,7-diazaspiro[4.4]nonan-6-one;hydrochloride is Cl.O=C1NCCC12CCCN2.
What is the InChIKey of 1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The InChIKey is JSJBFUIXXKBVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c10-6-7(3-5-8-6)2-1-4-9-7;/h9H,1-5H2,(H,8,10);1H.
What are the key properties of 1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
1,7-diazaspiro[4.4]nonan-6-one;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazaspiro[4.4]nonan-6-one;hydrochloride is sourced from PubChem (CID 86686653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).