2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one

C9H16N2O2 — CID 91304398

IUPAC2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one
SMILESCN1CCOC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C9H16N2O2/c1-10-3-4-13-9(6-10)5-8(12)11(2)7-9/h3-7H2,1-2H3
InChIKeyBDBXFHYXEZBUOB-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.45
Rot. Bonds

About 2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one

2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one (PubChem CID 91304398) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one
PubChem CID91304398
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one
SMILESCN1CCOC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C9H16N2O2/c1-10-3-4-13-9(6-10)5-8(12)11(2)7-9/h3-7H2,1-2H3
InChIKeyBDBXFHYXEZBUOB-UHFFFAOYSA-N
XLogP-0.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide
CID 155010335
4-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 23544679
9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 166686001
(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
CID 177187480
ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 171845223
ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one
CID 144669099
(4R)-8-methyl-1-oxa-8-azaspiro[3.5]nonane
CID 167468548
ethane;1,4,4-trimethylpyrrolidin-2-one
CID 171091773
(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 167468674
2,8-dimethyl-2,8-diazaspiro[4.5]decan-3-one;2,7-dimethyl-2,7-diazaspiro[3.5]nonan-3-one
CID 160674259
4-ethenyl-1-methyl-4-sulfanylpyrrolidin-2-one
CID 90168531
3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one
CID 162628856

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one (CID 91304398) is 2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one is CN1CCOC2(CC(=O)N(C)C2)C1.
What is the InChIKey of 2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one?
The InChIKey is BDBXFHYXEZBUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10-3-4-13-9(6-10)5-8(12)11(2)7-9/h3-7H2,1-2H3.
What are the key properties of 2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one?
2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one has a molecular weight of 184.24 g/mol, XLogP of -0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-6-oxa-2,9-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91304398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).