1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone

C10H15NO — CID 10877478

IUPAC1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone
SMILESCC(=O)C1=CC[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C10H15NO/c1-7(12)9-5-3-8-4-6-10(9)11(8)2/h5,8,10H,3-4,6H2,1-2H3/t8-,10-/m1/s1
InChIKeyKQIRSQYBYQBMIG-PSASIEDQSA-N
MW165.24 g/mol
LogP1.37
Rot. Bonds1

About 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone

1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone (PubChem CID 10877478) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone
PubChem CID10877478
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone
SMILESCC(=O)C1=CC[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C10H15NO/c1-7(12)9-5-3-8-4-6-10(9)11(8)2/h5,8,10H,3-4,6H2,1-2H3/t8-,10-/m1/s1
InChIKeyKQIRSQYBYQBMIG-PSASIEDQSA-N
XLogP1.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone?
The IUPAC name of 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone (CID 10877478) is 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone.
What is the SMILES notation for 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone?
The canonical SMILES for 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone is CC(=O)C1=CC[C@@H]2CC[C@H]1N2C.
What is the InChIKey of 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone?
The InChIKey is KQIRSQYBYQBMIG-PSASIEDQSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(12)9-5-3-8-4-6-10(9)11(8)2/h5,8,10H,3-4,6H2,1-2H3/t8-,10-/m1/s1.
What are the key properties of 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone?
1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone has a molecular weight of 165.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone is sourced from PubChem (CID 10877478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).