3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one

C12H21NO2 — CID 171938186

IUPAC3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCOCCC(=O)C1CC2CCC(C1)N2C
InChIInChI=1S/C12H21NO2/c1-13-10-3-4-11(13)8-9(7-10)12(14)5-6-15-2/h9-11H,3-8H2,1-2H3
InChIKeyVBQZTJDUDKDTLD-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.46
Rot. Bonds4

About 3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one

3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one (PubChem CID 171938186) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
PubChem CID171938186
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCOCCC(=O)C1CC2CCC(C1)N2C
InChIInChI=1S/C12H21NO2/c1-13-10-3-4-11(13)8-9(7-10)12(14)5-6-15-2/h9-11H,3-8H2,1-2H3
InChIKeyVBQZTJDUDKDTLD-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The IUPAC name of 3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one (CID 171938186) is 3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one.
What is the SMILES notation for 3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The canonical SMILES for 3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one is COCCC(=O)C1CC2CCC(C1)N2C.
What is the InChIKey of 3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The InChIKey is VBQZTJDUDKDTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13-10-3-4-11(13)8-9(7-10)12(14)5-6-15-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one is sourced from PubChem (CID 171938186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).