2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one

C12H21NO2 — CID 126750142

IUPAC2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)COC2
InChIInChI=1S/C12H21NO2/c1-11(2,3)10(14)13-6-4-12(5-7-13)8-15-9-12/h4-9H2,1-3H3
InChIKeyDAXYBMNLWAHXHE-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.67
Rot. Bonds

About 2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one

2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one (PubChem CID 126750142) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
PubChem CID126750142
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)COC2
InChIInChI=1S/C12H21NO2/c1-11(2,3)10(14)13-6-4-12(5-7-13)8-15-9-12/h4-9H2,1-3H3
InChIKeyDAXYBMNLWAHXHE-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-1-one
CID 170540653
2,2-dimethyl-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one
CID 126750297
2-amino-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
CID 122238852
1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one
CID 126750228
1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one
CID 168854257
1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 176737009
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
1-[(1R,3S,8R,10S)-12-(2,2-dimethylpropanoyl)-1,8-dihydroxy-2,9-dioxa-5,12-diazatricyclo[8.4.0.03,8]tetradecan-5-yl]-2,2-dimethylpropan-1-one
CID 71037487
1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one
CID 130842982
1-[4-(2,2-dimethylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one
CID 169318628
1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750157

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one (CID 126750142) is 2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one is CC(C)(C)C(=O)N1CCC2(CC1)COC2.
What is the InChIKey of 2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one?
The InChIKey is DAXYBMNLWAHXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(2,3)10(14)13-6-4-12(5-7-13)8-15-9-12/h4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one?
2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one is sourced from PubChem (CID 126750142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).