(1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one

C11H19NO — CID 10678975

IUPAC(1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one
SMILESCCCC1C[C@@H]2C(=O)CC[C@H]1N2C
InChIInChI=1S/C11H19NO/c1-3-4-8-7-10-11(13)6-5-9(8)12(10)2/h8-10H,3-7H2,1-2H3/t8?,9-,10-/m1/s1
InChIKeyRWLSHSULLBDAMI-VXRWAFEHSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds2

About (1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one

(1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one (PubChem CID 10678975) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name(1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one
PubChem CID10678975
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one
SMILESCCCC1C[C@@H]2C(=O)CC[C@H]1N2C
InChIInChI=1S/C11H19NO/c1-3-4-8-7-10-11(13)6-5-9(8)12(10)2/h8-10H,3-7H2,1-2H3/t8?,9-,10-/m1/s1
InChIKeyRWLSHSULLBDAMI-VXRWAFEHSA-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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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
8-Methyl-8-azabicyclo[3.2.1]octan-2-one
CID 338156
(+-)-Tropan-2-one
CID 10887990
(1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 67209139
(1R,5S)-8-methyl-1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-2-one
CID 141999062
1-(8-Methyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone
CID 18995706
1-Azatricyclo[4.4.0.02,8]decan-3-one
CID 90792635
2beta-Propanoyl tropane
CID 129712120
4,4,4-Trifluoro-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 112680637
5,5,5-Trifluoro-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pentan-1-one
CID 112680732

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of (1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one (CID 10678975) is (1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for (1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for (1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one is CCCC1C[C@@H]2C(=O)CC[C@H]1N2C.
What is the InChIKey of (1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one?
The InChIKey is RWLSHSULLBDAMI-VXRWAFEHSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-8-7-10-11(13)6-5-9(8)12(10)2/h8-10H,3-7H2,1-2H3/t8?,9-,10-/m1/s1.
What are the key properties of (1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one?
(1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-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 (1R,5R)-8-methyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 10678975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).