2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride

C9H17ClN2O2 — CID 138040826

IUPAC2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride
SMILESCC1(C)NC(=O)C2(CCNCC2)O1.Cl
InChIInChI=1S/C9H16N2O2.ClH/c1-8(2)11-7(12)9(13-8)3-5-10-6-4-9;/h10H,3-6H2,1-2H3,(H,11,12);1H
InChIKeyXLJDKHWWAVFIQE-UHFFFAOYSA-N
MW220.70 g/mol
LogP0.41
Rot. Bonds

About 2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride

2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride (PubChem CID 138040826) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride
PubChem CID138040826
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride
SMILESCC1(C)NC(=O)C2(CCNCC2)O1.Cl
InChIInChI=1S/C9H16N2O2.ClH/c1-8(2)11-7(12)9(13-8)3-5-10-6-4-9;/h10H,3-6H2,1-2H3,(H,11,12);1H
InChIKeyXLJDKHWWAVFIQE-UHFFFAOYSA-N
XLogP0.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 50.41
H-Bond Donors ≤ 52
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
8-Methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 45260758
2,2-Dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one hydrochloride
CID 138041011
1-Oxa-3,8-diazaspiro[4.5]decane-2,4-dione hydrochloride
CID 157402684
8-Methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
CID 14956864
2,2-Dimethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
CID 83671256
2-Ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
CID 129928158
2,2-Dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 129930038
3-Ethyl-1-oxa-3,8-diaza-spiro[4.5]decane-2,4-dione; hydrochloride
CID 12343449
3-Methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
CID 12343448
3-Propyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
CID 12343450
1-Oxa-3,8-diazaspiro[4.5]decane-2,4-dione
CID 15671040

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride?
The IUPAC name of 2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride (CID 138040826) is 2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride?
The canonical SMILES for 2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride is CC1(C)NC(=O)C2(CCNCC2)O1.Cl.
What is the InChIKey of 2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride?
The InChIKey is XLJDKHWWAVFIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.ClH/c1-8(2)11-7(12)9(13-8)3-5-10-6-4-9;/h10H,3-6H2,1-2H3,(H,11,12);1H.
What are the key properties of 2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride?
2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride is sourced from PubChem (CID 138040826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).