1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone

C10H15NO2 — CID 121183425

IUPAC1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone
SMILESCOCC(=O)N1C2C=CCC1CC2
InChIInChI=1S/C10H15NO2/c1-13-7-10(12)11-8-3-2-4-9(11)6-5-8/h2-3,8-9H,4-7H2,1H3
InChIKeyILKRSJREOHLPGF-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.95
Rot. Bonds2

About 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone

1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone (PubChem CID 121183425) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone
PubChem CID121183425
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone
SMILESCOCC(=O)N1C2C=CCC1CC2
InChIInChI=1S/C10H15NO2/c1-13-7-10(12)11-8-3-2-4-9(11)6-5-8/h2-3,8-9H,4-7H2,1H3
InChIKeyILKRSJREOHLPGF-UHFFFAOYSA-N
XLogP0.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone?
The IUPAC name of 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone (CID 121183425) is 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone is COCC(=O)N1C2C=CCC1CC2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone?
The InChIKey is ILKRSJREOHLPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-7-10(12)11-8-3-2-4-9(11)6-5-8/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone?
1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone has a molecular weight of 181.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methoxyethanone is sourced from PubChem (CID 121183425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).