1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one

C13H23NO2 — CID 118893899

IUPAC1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC2(CC(O)C2)C1
InChIInChI=1S/C13H23NO2/c1-12(2,3)8-11(16)14-5-4-13(9-14)6-10(15)7-13/h10,15H,4-9H2,1-3H3
InChIKeyPUBBYYMKCIFGRF-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.80
Rot. Bonds1

About 1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one

1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one (PubChem CID 118893899) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one
PubChem CID118893899
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC2(CC(O)C2)C1
InChIInChI=1S/C13H23NO2/c1-12(2,3)8-11(16)14-5-4-13(9-14)6-10(15)7-13/h10,15H,4-9H2,1-3H3
InChIKeyPUBBYYMKCIFGRF-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl 2-hydroxy-6-azaspiro(3.4)octane-6-carboxylate
CID 69669842
[3-(Hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 75433781
4-(2-Hydroxyethyl)-4-methyl-1-propylpyrrolidin-2-one
CID 22096350
1,3-Bis(2-hydroxypropyl)pyrrolidin-2-one
CID 57172851
(5R)-5-(hydroxymethyl)-1-[4-hydroxy-4-(1-propylcyclobutyl)butyl]pyrrolidin-2-one
CID 67963486
2-Hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid
CID 68759529
1-(2-(Hydroxymethyl)-6-azaspiro[3.4]octan-6-yl)ethanone
CID 71628992
(3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 118444512
(3,3-Dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone
CID 118447919
1-(2-Hydroxy-7-azaspiro[3.5]nonan-7-yl)propan-1-one
CID 129182214
(2S)-1-[(2S)-2-(1-hydroxyethyl)-4,4-dimethylpyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 143362478
Tert-butyl 2-hydroxy-6-azaspiro[3.4]octane-6-carboxylate;ethane;sulfane
CID 153377347

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one (CID 118893899) is 1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCC2(CC(O)C2)C1.
What is the InChIKey of 1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one?
The InChIKey is PUBBYYMKCIFGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2,3)8-11(16)14-5-4-13(9-14)6-10(15)7-13/h10,15H,4-9H2,1-3H3.
What are the key properties of 1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one?
1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 118893899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).