3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

C8H15ClN2O2 — CID 50944312

IUPAC3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCN1CC2(CCNCC2)OC1=O.Cl
InChIInChI=1S/C8H14N2O2.ClH/c1-10-6-8(12-7(10)11)2-4-9-5-3-8;/h9H,2-6H2,1H3;1H
InChIKeyJEEMONLFOZCFDQ-UHFFFAOYSA-N
MW206.67 g/mol
LogP0.61
Rot. Bonds

About 3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 50944312) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
PubChem CID50944312
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCN1CC2(CCNCC2)OC1=O.Cl
InChIInChI=1S/C8H14N2O2.ClH/c1-10-6-8(12-7(10)11)2-4-9-5-3-8;/h9H,2-6H2,1H3;1H
InChIKeyJEEMONLFOZCFDQ-UHFFFAOYSA-N
XLogP0.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione hydrochloride
CID 45264590
3-Chloro-8,8-dimethyl-2-oxo-1-oxa-3-aza-8-azoniaspiro[4.5]decane chloride
CID 46202013
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-dimethylsulfamoyl-, hydrochloride
CID 3057777
tert-Butyl 2,8-diazaspiro(4.5)decane-8-carboxylate
CID 23282900
Tert-butyl 6-oxa-2,9-diazaspiro(4.5)decane-9-carboxylate
CID 23548219
tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 34178604
1-Oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
CID 50944313
Tert-butyl 4-methoxy-4-((methylamino)methyl)piperidine-1-carboxylate
CID 58906435
Tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 82386799
t-Butyl 6-oxa-2,9-diazaspiro(4.5)decane-9-carboxylate hydrochloride
CID 131698380
1-Oxa-3,8-diazaspiro(4.5)decan 2-one
CID 12954114
3-Ethyl-1-oxa-3,8-diazaspiro(4.5)decan-2-one hydrochloride
CID 117272867

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of 3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (CID 50944312) is 3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for 3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for 3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is CN1CC2(CCNCC2)OC1=O.Cl.
What is the InChIKey of 3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is JEEMONLFOZCFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.ClH/c1-10-6-8(12-7(10)11)2-4-9-5-3-8;/h9H,2-6H2,1H3;1H.
What are the key properties of 3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 206.67 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 50944312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).