8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride

C9H17ClN2O2 — CID 46202673

IUPAC8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride
SMILESC[N+]1(C)CCC2(CC1)CNC(=O)O2.[Cl-]
InChIInChI=1S/C9H16N2O2.ClH/c1-11(2)5-3-9(4-6-11)7-10-8(12)13-9;/h3-7H2,1-2H3;1H
InChIKeyNKYLXEOJMWWPJV-UHFFFAOYSA-N
MW220.70 g/mol
LogP-2.66
Rot. Bonds

About 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride

8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride (PubChem CID 46202673) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride.

Molecular Properties

Compound Name8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride
PubChem CID46202673
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride
SMILESC[N+]1(C)CCC2(CC1)CNC(=O)O2.[Cl-]
InChIInChI=1S/C9H16N2O2.ClH/c1-11(2)5-3-9(4-6-11)7-10-8(12)13-9;/h3-7H2,1-2H3;1H
InChIKeyNKYLXEOJMWWPJV-UHFFFAOYSA-N
XLogP-2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 5-2.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate
CID 7062127
tert-Butyl 2,8-diazaspiro(4.5)decane-8-carboxylate
CID 23282900
tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 34178604
tert-Butyl 4-hydroxy-4-[(methylamino)methyl]piperidine-1-carboxylate
CID 39348378
3-Methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
CID 50944312
1-Oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
CID 50944313
tert-Butyl 4-(aminomethyl)-4-methoxypiperidine-1-carboxylate
CID 53399259
Tert-butyl 4-methoxy-4-((methylamino)methyl)piperidine-1-carboxylate
CID 58906435
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

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride?
The IUPAC name of 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride (CID 46202673) is 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride.
What is the SMILES notation for 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride?
The canonical SMILES for 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride is C[N+]1(C)CCC2(CC1)CNC(=O)O2.[Cl-].
What is the InChIKey of 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride?
The InChIKey is NKYLXEOJMWWPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.ClH/c1-11(2)5-3-9(4-6-11)7-10-8(12)13-9;/h3-7H2,1-2H3;1H.
What are the key properties of 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride?
8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride has a molecular weight of 220.70 g/mol, XLogP of -2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one chloride is sourced from PubChem (CID 46202673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).