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

C20H23NO — CID 10493966

IUPAC1-[(1R,2S,3S,5S)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
SMILESCCC(=O)[C@H]1[C@@H](c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2
InChIInChI=1S/C20H23NO/c1-2-19(22)20-17(12-16-9-10-18(20)21-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-18,20-21H,2,9-10,12H2,1H3/t16-,17+,18+,20-/m0/s1
InChIKeyOLNNUDMXMOFMLE-XFKSJGNHSA-N
MW293.41 g/mol
LogP4.04
Rot. Bonds3

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

1-[(1R,2S,3S,5S)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one (PubChem CID 10493966) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[(1R,2S,3S,5S)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(1R,2S,3S,5S)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
PubChem CID10493966
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-[(1R,2S,3S,5S)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
SMILESCCC(=O)[C@H]1[C@@H](c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2
InChIInChI=1S/C20H23NO/c1-2-19(22)20-17(12-16-9-10-18(20)21-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-18,20-21H,2,9-10,12H2,1H3/t16-,17+,18+,20-/m0/s1
InChIKeyOLNNUDMXMOFMLE-XFKSJGNHSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,3S,5S)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one?
The IUPAC name of 1-[(1R,2S,3S,5S)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one (CID 10493966) is 1-[(1R,2S,3S,5S)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one.
What is the SMILES notation for 1-[(1R,2S,3S,5S)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one?
The canonical SMILES for 1-[(1R,2S,3S,5S)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one is CCC(=O)[C@H]1[C@@H](c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2.
What is the InChIKey of 1-[(1R,2S,3S,5S)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one?
The InChIKey is OLNNUDMXMOFMLE-XFKSJGNHSA-N. The full InChI is InChI=1S/C20H23NO/c1-2-19(22)20-17(12-16-9-10-18(20)21-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-18,20-21H,2,9-10,12H2,1H3/t16-,17+,18+,20-/m0/s1.
What are the key properties of 1-[(1R,2S,3S,5S)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one?
1-[(1R,2S,3S,5S)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one has a molecular weight of 293.41 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,3S,5S)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one is sourced from PubChem (CID 10493966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).