1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one

C11H19NO — CID 83906543

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one
SMILESCC(=O)CC1CC2CCC(C1)N2C
InChIInChI=1S/C11H19NO/c1-8(13)5-9-6-10-3-4-11(7-9)12(10)2/h9-11H,3-7H2,1-2H3
InChIKeyMGMCGAMSMKDVSP-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds2

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one (PubChem CID 83906543) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one
PubChem CID83906543
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one
SMILESCC(=O)CC1CC2CCC(C1)N2C
InChIInChI=1S/C11H19NO/c1-8(13)5-9-6-10-3-4-11(7-9)12(10)2/h9-11H,3-7H2,1-2H3
InChIKeyMGMCGAMSMKDVSP-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one (CID 83906543) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one is CC(=O)CC1CC2CCC(C1)N2C.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one?
The InChIKey is MGMCGAMSMKDVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(13)5-9-6-10-3-4-11(7-9)12(10)2/h9-11H,3-7H2,1-2H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one has a molecular weight of 181.28 g/mol, XLogP of 1.84, 2 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)propan-2-one is sourced from PubChem (CID 83906543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).