8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one

C8H11NO — CID 138970224

IUPAC8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one
SMILESCN1C2C=CC(=O)C1CC2
InChIInChI=1S/C8H11NO/c1-9-6-2-4-7(9)8(10)5-3-6/h3,5-7H,2,4H2,1H3
InChIKeyVFGCWHNCLRHQGS-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.59
Rot. Bonds

About 8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one

8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one (PubChem CID 138970224) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one
PubChem CID138970224
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one
SMILESCN1C2C=CC(=O)C1CC2
InChIInChI=1S/C8H11NO/c1-9-6-2-4-7(9)8(10)5-3-6/h3,5-7H,2,4H2,1H3
InChIKeyVFGCWHNCLRHQGS-UHFFFAOYSA-N
XLogP0.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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

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Related Compounds

Ethanone, 1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-(9CI)
CID 585756
1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone
CID 10012258
8-Methyl-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carbonitrile
CID 376753
8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile
CID 376754
2-Acetyltrop-2-ene
CID 10877478
8-Azabicyclo[3.2.1]oct-3-en-2-one
CID 68465189
Tetra-hydroindolizin-8-one
CID 89287856
3-Tropenone
CID 129654199
(1R,5S)-8-butanoyl-3-ethyl-8-azabicyclo[3.2.1]oct-3-en-2-one
CID 139255456
(e)-4-Amino-1-(5-((1e,4e)-hexa-1,4-dienyl)-1-methylpyrrolidin-2-yl) pent-2-en-1-one
CID 168301837
(1S,5R,6R)-8-methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile
CID 21581630
1-(2-Methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)ethanone
CID 13614144

Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of 8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one (CID 138970224) is 8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for 8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for 8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one is CN1C2C=CC(=O)C1CC2.
What is the InChIKey of 8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is VFGCWHNCLRHQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-9-6-2-4-7(9)8(10)5-3-6/h3,5-7H,2,4H2,1H3.
What are the key properties of 8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 137.18 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 138970224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).