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

C10H15NO — CID 67764754

IUPAC1-(1-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone
SMILESCC(=O)C1=CCC2CCC1(C)N2
InChIInChI=1S/C10H15NO/c1-7(12)9-4-3-8-5-6-10(9,2)11-8/h4,8,11H,3,5-6H2,1-2H3
InChIKeyJNVYKUUPWIGKHN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.42
Rot. Bonds1

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

1-(1-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone (PubChem CID 67764754) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(1-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone
PubChem CID67764754
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(1-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone
SMILESCC(=O)C1=CCC2CCC1(C)N2
InChIInChI=1S/C10H15NO/c1-7(12)9-4-3-8-5-6-10(9,2)11-8/h4,8,11H,3,5-6H2,1-2H3
InChIKeyJNVYKUUPWIGKHN-UHFFFAOYSA-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-(1-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone?
The IUPAC name of 1-(1-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone (CID 67764754) is 1-(1-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone?
The canonical SMILES for 1-(1-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone is CC(=O)C1=CCC2CCC1(C)N2.
What is the InChIKey of 1-(1-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone?
The InChIKey is JNVYKUUPWIGKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(12)9-4-3-8-5-6-10(9,2)11-8/h4,8,11H,3,5-6H2,1-2H3.
What are the key properties of 1-(1-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone?
1-(1-methyl-8-azabicyclo[3.2.1]oct-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-(1-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone is sourced from PubChem (CID 67764754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).