3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one

C9H15NO2 — CID 130027778

IUPAC3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one
SMILESCN(C)C1CC2CCC(O2)C1=O
InChIInChI=1S/C9H15NO2/c1-10(2)7-5-6-3-4-8(12-6)9(7)11/h6-8H,3-5H2,1-2H3
InChIKeyJQGMZBTYWLJSMO-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.44
Rot. Bonds1

About 3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one

3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one (PubChem CID 130027778) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one
PubChem CID130027778
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one
SMILESCN(C)C1CC2CCC(O2)C1=O
InChIInChI=1S/C9H15NO2/c1-10(2)7-5-6-3-4-8(12-6)9(7)11/h6-8H,3-5H2,1-2H3
InChIKeyJQGMZBTYWLJSMO-UHFFFAOYSA-N
XLogP0.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R)-8-oxabicyclo[3.2.1]octan-2-one
CID 44632343
3-(dimethylamino)oxolan-2-one
CID 22088506
(2S)-2-methyl-7-oxabicyclo[2.2.1]heptane
CID 59747310
(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane
CID 155450472
(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione
CID 91886205
3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen
CID 165132748
(1R,2S,5R,7R,10R,11S,14R,16R,19R,20R,23R,25R,28R,29S,32R,34R)-2,5,11,14,20,23,29,32-octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone
CID 124604967
(1S,2S,5R,7R,10S,11R,14S,16R,19S,20S,23R,25R)-2,5,11,14,20,23-hexamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
CID 135756030
3,8-dioxabicyclo[3.2.1]octane-2,4-dione
CID 13425799
2,6-dioxatricyclo[3.3.2.03,7]decane
CID 12591241
5-oxabicyclo[2.1.1]hexan-2-one
CID 171036086
[2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171946489

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one?
The IUPAC name of 3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one (CID 130027778) is 3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one is CN(C)C1CC2CCC(O2)C1=O.
What is the InChIKey of 3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one?
The InChIKey is JQGMZBTYWLJSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10(2)7-5-6-3-4-8(12-6)9(7)11/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one?
3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-8-oxabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 130027778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).