2,6-diazaspiro[3.4]octan-5-one;hydrochloride

C6H11ClN2O — CID 55264582

IUPAC2,6-diazaspiro[3.4]octan-5-one;hydrochloride
SMILESCl.O=C1NCCC12CNC2
InChIInChI=1S/C6H10N2O.ClH/c9-5-6(1-2-8-5)3-7-4-6;/h7H,1-4H2,(H,8,9);1H
InChIKeyDIAPMTWSLPSUAM-UHFFFAOYSA-N
MW162.62 g/mol
LogP-0.48
Rot. Bonds

About 2,6-diazaspiro[3.4]octan-5-one;hydrochloride

2,6-diazaspiro[3.4]octan-5-one;hydrochloride (PubChem CID 55264582) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is 2,6-diazaspiro[3.4]octan-5-one;hydrochloride.

Molecular Properties

Compound Name2,6-diazaspiro[3.4]octan-5-one;hydrochloride
PubChem CID55264582
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name2,6-diazaspiro[3.4]octan-5-one;hydrochloride
SMILESCl.O=C1NCCC12CNC2
InChIInChI=1S/C6H10N2O.ClH/c9-5-6(1-2-8-5)3-7-4-6;/h7H,1-4H2,(H,8,9);1H
InChIKeyDIAPMTWSLPSUAM-UHFFFAOYSA-N
XLogP-0.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diazaspiro[3.4]octan-5-one;hydrochloride?
The IUPAC name of 2,6-diazaspiro[3.4]octan-5-one;hydrochloride (CID 55264582) is 2,6-diazaspiro[3.4]octan-5-one;hydrochloride.
What is the SMILES notation for 2,6-diazaspiro[3.4]octan-5-one;hydrochloride?
The canonical SMILES for 2,6-diazaspiro[3.4]octan-5-one;hydrochloride is Cl.O=C1NCCC12CNC2.
What is the InChIKey of 2,6-diazaspiro[3.4]octan-5-one;hydrochloride?
The InChIKey is DIAPMTWSLPSUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.ClH/c9-5-6(1-2-8-5)3-7-4-6;/h7H,1-4H2,(H,8,9);1H.
What are the key properties of 2,6-diazaspiro[3.4]octan-5-one;hydrochloride?
2,6-diazaspiro[3.4]octan-5-one;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazaspiro[3.4]octan-5-one;hydrochloride is sourced from PubChem (CID 55264582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).