1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone

C7H11NO3 — CID 126556753

IUPAC1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESCC(=O)N1C2COC[C@@H]1CO2
InChIInChI=1S/C7H11NO3/c1-5(9)8-6-2-10-4-7(8)11-3-6/h6-7H,2-4H2,1H3/t6-,7?/m1/s1
InChIKeyISBLZDULEGCDAS-ULUSZKPHSA-N
MW157.17 g/mol
LogP-0.41
Rot. Bonds

About 1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone

1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone (PubChem CID 126556753) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone.

Molecular Properties

Compound Name1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone
PubChem CID126556753
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESCC(=O)N1C2COC[C@@H]1CO2
InChIInChI=1S/C7H11NO3/c1-5(9)8-6-2-10-4-7(8)11-3-6/h6-7H,2-4H2,1H3/t6-,7?/m1/s1
InChIKeyISBLZDULEGCDAS-ULUSZKPHSA-N
XLogP-0.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone
CID 146602397
3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 154014382
3-oxa-6-azabicyclo[3.1.1]heptane-6-carboxylic acid
CID 176998783
1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone
CID 155687564
1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 158227486
2,2-dimethyl-1-[(1R,5S)-3-oxabicyclo[3.3.1]nonan-9-yl]propan-1-one
CID 135302142
2-methyl-1-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)propan-1-one
CID 126995610
1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 118104170
2,2-dimethyl-1-(oxetan-3-yl)propan-1-one
CID 58961075
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone
CID 13221036
ethane;1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 145255190
cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone
CID 171574735

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The IUPAC name of 1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone (CID 126556753) is 1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone.
What is the SMILES notation for 1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The canonical SMILES for 1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone is CC(=O)N1C2COC[C@@H]1CO2.
What is the InChIKey of 1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The InChIKey is ISBLZDULEGCDAS-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(9)8-6-2-10-4-7(8)11-3-6/h6-7H,2-4H2,1H3/t6-,7?/m1/s1.
What are the key properties of 1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone has a molecular weight of 157.17 g/mol, XLogP of -0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone is sourced from PubChem (CID 126556753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).