8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride

C7H13ClN2O2 — CID 155858910

IUPAC8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride
SMILESCN1CC2(CNC2)OCC1=O.Cl
InChIInChI=1S/C7H12N2O2.ClH/c1-9-5-7(3-8-4-7)11-2-6(9)10;/h8H,2-5H2,1H3;1H
InChIKeyMEUPQLDXSBNXBG-UHFFFAOYSA-N
MW192.65 g/mol
LogP-0.76
Rot. Bonds

About 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride

8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride (PubChem CID 155858910) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride.

Molecular Properties

Compound Name8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride
PubChem CID155858910
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC Name8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride
SMILESCN1CC2(CNC2)OCC1=O.Cl
InChIInChI=1S/C7H12N2O2.ClH/c1-9-5-7(3-8-4-7)11-2-6(9)10;/h8H,2-5H2,1H3;1H
InChIKeyMEUPQLDXSBNXBG-UHFFFAOYSA-N
XLogP-0.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride?
The IUPAC name of 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride (CID 155858910) is 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride.
What is the SMILES notation for 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride?
The canonical SMILES for 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride is CN1CC2(CNC2)OCC1=O.Cl.
What is the InChIKey of 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride?
The InChIKey is MEUPQLDXSBNXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.ClH/c1-9-5-7(3-8-4-7)11-2-6(9)10;/h8H,2-5H2,1H3;1H.
What are the key properties of 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride?
8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride has a molecular weight of 192.65 g/mol, XLogP of -0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;hydrochloride is sourced from PubChem (CID 155858910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).