2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one

C10H17NO2 — CID 153438793

IUPAC2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one
SMILESCC(C)C(=O)N1C[C@H]2CC[C@@H](C1)O2
InChIInChI=1S/C10H17NO2/c1-7(2)10(12)11-5-8-3-4-9(6-11)13-8/h7-9H,3-6H2,1-2H3/t8-,9+
InChIKeyZHWDHPXZIVGFIR-DTORHVGOSA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds1

About 2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one

2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one (PubChem CID 153438793) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one
PubChem CID153438793
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one
SMILESCC(C)C(=O)N1C[C@H]2CC[C@@H](C1)O2
InChIInChI=1S/C10H17NO2/c1-7(2)10(12)11-5-8-3-4-9(6-11)13-8/h7-9H,3-6H2,1-2H3/t8-,9+
InChIKeyZHWDHPXZIVGFIR-DTORHVGOSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one with MolForge

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Related Compounds

US10214537, Example 164
CID 132220337
4-[Methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one
CID 119034961
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-Heptanoyl-8-oxa-3-azabicyclo (3.2.1)octane
CID 21544542
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)octadecan-1-one
CID 21544558
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 21544569
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 21544575
8-Oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde
CID 21925217

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one (CID 153438793) is 2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one is CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)O2.
What is the InChIKey of 2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one?
The InChIKey is ZHWDHPXZIVGFIR-DTORHVGOSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)10(12)11-5-8-3-4-9(6-11)13-8/h7-9H,3-6H2,1-2H3/t8-,9+.
What are the key properties of 2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one?
2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one is sourced from PubChem (CID 153438793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).