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

C9H13NO — CID 10888091

IUPAC1-[(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone
SMILESCC(=O)C1=CC[C@H]2CC[C@@H]1N2
InChIInChI=1S/C9H13NO/c1-6(11)8-4-2-7-3-5-9(8)10-7/h4,7,9-10H,2-3,5H2,1H3/t7-,9-/m0/s1
InChIKeyDYSCFNKIZDWMSK-CBAPKCEASA-N
MW151.21 g/mol
LogP1.03
Rot. Bonds1

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

1-[(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone (PubChem CID 10888091) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-[(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone.

Molecular Properties

Compound Name1-[(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone
PubChem CID10888091
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-[(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone
SMILESCC(=O)C1=CC[C@H]2CC[C@@H]1N2
InChIInChI=1S/C9H13NO/c1-6(11)8-4-2-7-3-5-9(8)10-7/h4,7,9-10H,2-3,5H2,1H3/t7-,9-/m0/s1
InChIKeyDYSCFNKIZDWMSK-CBAPKCEASA-N
XLogP1.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone?
The IUPAC name of 1-[(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone (CID 10888091) is 1-[(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone.
What is the SMILES notation for 1-[(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone?
The canonical SMILES for 1-[(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone is CC(=O)C1=CC[C@H]2CC[C@@H]1N2.
What is the InChIKey of 1-[(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone?
The InChIKey is DYSCFNKIZDWMSK-CBAPKCEASA-N. The full InChI is InChI=1S/C9H13NO/c1-6(11)8-4-2-7-3-5-9(8)10-7/h4,7,9-10H,2-3,5H2,1H3/t7-,9-/m0/s1.
What are the key properties of 1-[(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone?
1-[(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone has a molecular weight of 151.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone is sourced from PubChem (CID 10888091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).