1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone

C8H11NO — CID 139648211

IUPAC1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone
SMILESCC(=O)C1C2=CCN1CC2
InChIInChI=1S/C8H11NO/c1-6(10)8-7-2-4-9(8)5-3-7/h2,8H,3-5H2,1H3
InChIKeyQSZHVLBUBNLGFF-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.59
Rot. Bonds1

About 1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone

1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone (PubChem CID 139648211) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone
PubChem CID139648211
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone
SMILESCC(=O)C1C2=CCN1CC2
InChIInChI=1S/C8H11NO/c1-6(10)8-7-2-4-9(8)5-3-7/h2,8H,3-5H2,1H3
InChIKeyQSZHVLBUBNLGFF-UHFFFAOYSA-N
XLogP0.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetra-hydroindolizin-8-one
CID 89287856
1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone
CID 58938888
1-[(2R)-1-(2-methylideneheptyl)pyrrolidin-2-yl]ethanone
CID 90662586
1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone
CID 357791
3,5,8,8a-tetrahydro-2H-indolizin-1-one
CID 10920568
1-(2-Methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)ethanone
CID 13614144
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-one
CID 21757420
1-(1-Methyl-4-methylidenepyrrolidin-2-yl)ethanone
CID 58363600
3,5,8,8a-tetrahydro-1H-indolizin-2-one
CID 58724371
3-Methyl-1-(1-methylpyrrolidin-2-yl)but-2-en-1-one
CID 59758776
(1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one
CID 68636479
1-[1-[(2Z,4E,7E,9Z)-7-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)dodeca-2,7,9,11-tetraen-5-yl]pyrrolidin-2-yl]ethanone
CID 89953278

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone?
The IUPAC name of 1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone (CID 139648211) is 1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone.
What is the SMILES notation for 1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone?
The canonical SMILES for 1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone is CC(=O)C1C2=CCN1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone?
The InChIKey is QSZHVLBUBNLGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6(10)8-7-2-4-9(8)5-3-7/h2,8H,3-5H2,1H3.
What are the key properties of 1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone?
1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone has a molecular weight of 137.18 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.1]hept-3-en-7-yl)ethanone is sourced from PubChem (CID 139648211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).