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

C10H17NO — CID 58325821

IUPAC1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-one
SMILESCC(=O)CC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C10H17NO/c1-7(12)4-8-5-9-2-3-10(6-8)11-9/h8-11H,2-6H2,1H3/t8?,9-,10+
InChIKeyJPQTTXCBWHZUCI-PBINXNQUSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds2

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

1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-one (PubChem CID 58325821) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-one
PubChem CID58325821
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-one
SMILESCC(=O)CC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C10H17NO/c1-7(12)4-8-5-9-2-3-10(6-8)11-9/h8-11H,2-6H2,1H3/t8?,9-,10+
InChIKeyJPQTTXCBWHZUCI-PBINXNQUSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Ethyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458623
2-Methyl-8-azabicyclo[3.2.1]octan-3-one hydrochloride
CID 126836149
6-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 145864828
(+/-)-(1S,5S,6R)-6-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 145996570
3-Methyl-1-(piperidin-2-yl)butan-2-one
CID 79536820
2-Methyl-8-azabicyclo[3.2.1]octan-3-one
CID 88987015
6-(2,2,2-Trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 91008321
(1S,2S,5S)-1-tert-butyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one
CID 154676816
(1S,2S,5S)-1-butyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one
CID 177908499
1-(8-Methyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone
CID 18995706
2beta-Propanoyl tropane
CID 129712120
(6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one
CID 139091087

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-one?
The IUPAC name of 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-one (CID 58325821) is 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-one.
What is the SMILES notation for 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-one?
The canonical SMILES for 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-one is CC(=O)CC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-one?
The InChIKey is JPQTTXCBWHZUCI-PBINXNQUSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(12)4-8-5-9-2-3-10(6-8)11-9/h8-11H,2-6H2,1H3/t8?,9-,10+.
What are the key properties of 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-one?
1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-one is sourced from PubChem (CID 58325821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).