1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone

C10H17NO — CID 71434709

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCC(=O)C1CC2CCC(C1)N2C
InChIInChI=1S/C10H17NO/c1-7(12)8-5-9-3-4-10(6-8)11(9)2/h8-10H,3-6H2,1-2H3
InChIKeyJTPYIXGVXPVQDZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds1

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 71434709) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID71434709
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCC(=O)C1CC2CCC(C1)N2C
InChIInChI=1S/C10H17NO/c1-7(12)8-5-9-3-4-10(6-8)11(9)2/h8-10H,3-6H2,1-2H3
InChIKeyJTPYIXGVXPVQDZ-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone with MolForge

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Related Compounds

1-(3-Cyclohexyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458599
1-(3-Ethyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458623
2,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 54521676
2-(1-Methylpyrrolidin-2-yl)cyclohexan-1-one
CID 71683276
2-(1-Piperidinylmethyl)cycloheptanone
CID 2829711
8-Methyl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 68923710
2-Methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 54292616
8-Methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 54471378
2,4-Dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 57195571
(1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 67209139
2-Methyl-8-azabicyclo[3.2.1]octan-3-one
CID 88987015
8-(3-Fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 123895532

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 71434709) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone is CC(=O)C1CC2CCC(C1)N2C.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is JTPYIXGVXPVQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(12)8-5-9-3-4-10(6-8)11(9)2/h8-10H,3-6H2,1-2H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 71434709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).