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

C12H23NO — CID 162042579

IUPACmethane;1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone
SMILESC.C.CC(=O)C1=CCC2CCC1N2C
InChIInChI=1S/C10H15NO.2CH4/c1-7(12)9-5-3-8-4-6-10(9)11(8)2;;/h5,8,10H,3-4,6H2,1-2H3;2*1H4
InChIKeyYXLYECYCCVIYQD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.64
Rot. Bonds1

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

methane;1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone (PubChem CID 162042579) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is methane;1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone.

Molecular Properties

Compound Namemethane;1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone
PubChem CID162042579
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Namemethane;1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone
SMILESC.C.CC(=O)C1=CCC2CCC1N2C
InChIInChI=1S/C10H15NO.2CH4/c1-7(12)9-5-3-8-4-6-10(9)11(8)2;;/h5,8,10H,3-4,6H2,1-2H3;2*1H4
InChIKeyYXLYECYCCVIYQD-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methane;1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone?
The IUPAC name of methane;1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone (CID 162042579) is methane;1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone.
What is the SMILES notation for methane;1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone?
The canonical SMILES for methane;1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone is C.C.CC(=O)C1=CCC2CCC1N2C.
What is the InChIKey of methane;1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone?
The InChIKey is YXLYECYCCVIYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.2CH4/c1-7(12)9-5-3-8-4-6-10(9)11(8)2;;/h5,8,10H,3-4,6H2,1-2H3;2*1H4.
What are the key properties of methane;1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone?
methane;1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone has a molecular weight of 197.32 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone is sourced from PubChem (CID 162042579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).