1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone

C10H15NO — CID 3034748

IUPAC1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
SMILESCC(=O)C1=CCC[C@@H]2CC[C@H]1N2
InChIInChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1
InChIKeySGNXVBOIDPPRJJ-PSASIEDQSA-N
MW165.24 g/mol
LogP1.42
Rot. Bonds1

About 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone

1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone (PubChem CID 3034748) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
PubChem CID3034748
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
SMILESCC(=O)C1=CCC[C@@H]2CC[C@H]1N2
InChIInChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1
InChIKeySGNXVBOIDPPRJJ-PSASIEDQSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone?
The IUPAC name of 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone (CID 3034748) is 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone.
What is the SMILES notation for 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone?
The canonical SMILES for 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone is CC(=O)C1=CCC[C@@H]2CC[C@H]1N2.
What is the InChIKey of 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone?
The InChIKey is SGNXVBOIDPPRJJ-PSASIEDQSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1.
What are the key properties of 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone?
1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone has a molecular weight of 165.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone is sourced from PubChem (CID 3034748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).