1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone

C9H13NO — CID 58497631

IUPAC1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone
SMILESCC(=O)N1CC2C=CCC1C2
InChIInChI=1S/C9H13NO/c1-7(11)10-6-8-3-2-4-9(10)5-8/h2-3,8-9H,4-6H2,1H3
InChIKeyALOCPADOWNWZDP-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.18
Rot. Bonds

About 1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone

1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone (PubChem CID 58497631) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone.

Molecular Properties

Compound Name1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone
PubChem CID58497631
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone
SMILESCC(=O)N1CC2C=CCC1C2
InChIInChI=1S/C9H13NO/c1-7(11)10-6-8-3-2-4-9(10)5-8/h2-3,8-9H,4-6H2,1H3
InChIKeyALOCPADOWNWZDP-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone
CID 21357714
1-[(1S,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 124539751
1-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-6-yl]ethanone
CID 58488076
1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 118104170
ethane;1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 145255190
(1R,4S)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 25312617
1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone
CID 121183494
N-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide
CID 131880390
2-acetyl-2-azabicyclo[3.2.1]octane-4-carboxylic acid
CID 167722081
1-[(1R,4R,5R)-5-(4-methylphenyl)-2-azabicyclo[2.2.1]heptan-2-yl]ethanone
CID 164585322
1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone
CID 59918740
methyl 1-acetyl-2,5-dihydropyrrole-2-carboxylate
CID 45086476

Frequently Asked Questions

What is the IUPAC name of 1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone?
The IUPAC name of 1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone (CID 58497631) is 1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone.
What is the SMILES notation for 1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone?
The canonical SMILES for 1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone is CC(=O)N1CC2C=CCC1C2.
What is the InChIKey of 1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone?
The InChIKey is ALOCPADOWNWZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(11)10-6-8-3-2-4-9(10)5-8/h2-3,8-9H,4-6H2,1H3.
What are the key properties of 1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone?
1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone has a molecular weight of 151.21 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azabicyclo[3.2.1]oct-2-en-6-yl)ethanone is sourced from PubChem (CID 58497631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).