1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone

C8H13NO2 — CID 131163077

IUPAC1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone
SMILESCC(=O)N1C[C@H]2CC[C@@H](C1)O2
InChIInChI=1S/C8H13NO2/c1-6(10)9-4-7-2-3-8(5-9)11-7/h7-8H,2-5H2,1H3/t7-,8+
InChIKeyWYEHOCMBUGGXCD-OCAPTIKFSA-N
MW155.20 g/mol
LogP0.40
Rot. Bonds

About 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone

1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone (PubChem CID 131163077) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone.

Molecular Properties

Compound Name1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone
PubChem CID131163077
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone
SMILESCC(=O)N1C[C@H]2CC[C@@H](C1)O2
InChIInChI=1S/C8H13NO2/c1-6(10)9-4-7-2-3-8(5-9)11-7/h7-8H,2-5H2,1H3/t7-,8+
InChIKeyWYEHOCMBUGGXCD-OCAPTIKFSA-N
XLogP0.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone with MolForge

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Related Compounds

2-Chloro-1-{8-oxa-3-azabicyclo[3.2.1]octan-3-yl}ethan-1-one
CID 66369572
4-[Methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one
CID 119034961
1-((1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethan-1-one
CID 69704423
2,2,2-Trifluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66370734
2,2-Difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 103515791
2,2,3,3-Tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 103734136
2,2,3,3,3-Pentafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 108095295
2-Fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 130165202
3-Hexyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 17965845
3-Methyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 20789957
3-Heptanoyl-8-oxa-3-azabicyclo (3.2.1)octane
CID 21544542
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 21544569

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone?
The IUPAC name of 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone (CID 131163077) is 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone.
What is the SMILES notation for 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone?
The canonical SMILES for 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone is CC(=O)N1C[C@H]2CC[C@@H](C1)O2.
What is the InChIKey of 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone?
The InChIKey is WYEHOCMBUGGXCD-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(10)9-4-7-2-3-8(5-9)11-7/h7-8H,2-5H2,1H3/t7-,8+.
What are the key properties of 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone?
1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone has a molecular weight of 155.20 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone is sourced from PubChem (CID 131163077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).