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

C7H13ClN2O — CID 55264584

IUPAC6-methyl-2,6-diazaspiro[3.4]octan-5-one;hydrochloride
SMILESCN1CCC2(CNC2)C1=O.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-9-3-2-7(6(9)10)4-8-5-7;/h8H,2-5H2,1H3;1H
InChIKeyXVFQVIKIWDOSNA-UHFFFAOYSA-N
MW176.65 g/mol
LogP-0.14
Rot. Bonds

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

6-methyl-2,6-diazaspiro[3.4]octan-5-one;hydrochloride (PubChem CID 55264584) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is 6-methyl-2,6-diazaspiro[3.4]octan-5-one;hydrochloride.

Molecular Properties

Compound Name6-methyl-2,6-diazaspiro[3.4]octan-5-one;hydrochloride
PubChem CID55264584
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name6-methyl-2,6-diazaspiro[3.4]octan-5-one;hydrochloride
SMILESCN1CCC2(CNC2)C1=O.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-9-3-2-7(6(9)10)4-8-5-7;/h8H,2-5H2,1H3;1H
InChIKeyXVFQVIKIWDOSNA-UHFFFAOYSA-N
XLogP-0.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,6-diazaspiro[3.4]octan-5-one;hydrochloride?
The IUPAC name of 6-methyl-2,6-diazaspiro[3.4]octan-5-one;hydrochloride (CID 55264584) is 6-methyl-2,6-diazaspiro[3.4]octan-5-one;hydrochloride.
What is the SMILES notation for 6-methyl-2,6-diazaspiro[3.4]octan-5-one;hydrochloride?
The canonical SMILES for 6-methyl-2,6-diazaspiro[3.4]octan-5-one;hydrochloride is CN1CCC2(CNC2)C1=O.Cl.
What is the InChIKey of 6-methyl-2,6-diazaspiro[3.4]octan-5-one;hydrochloride?
The InChIKey is XVFQVIKIWDOSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c1-9-3-2-7(6(9)10)4-8-5-7;/h8H,2-5H2,1H3;1H.
What are the key properties of 6-methyl-2,6-diazaspiro[3.4]octan-5-one;hydrochloride?
6-methyl-2,6-diazaspiro[3.4]octan-5-one;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,6-diazaspiro[3.4]octan-5-one;hydrochloride is sourced from PubChem (CID 55264584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).