1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone

C9H15NO — CID 126639080

IUPAC1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone
SMILESCC(=O)C1CC2C(C)C2N1C
InChIInChI=1S/C9H15NO/c1-5-7-4-8(6(2)11)10(3)9(5)7/h5,7-9H,4H2,1-3H3
InChIKeyYMTRYODVOPMEHK-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.91
Rot. Bonds1

About 1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone

1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone (PubChem CID 126639080) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone
PubChem CID126639080
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone
SMILESCC(=O)C1CC2C(C)C2N1C
InChIInChI=1S/C9H15NO/c1-5-7-4-8(6(2)11)10(3)9(5)7/h5,7-9H,4H2,1-3H3
InChIKeyYMTRYODVOPMEHK-UHFFFAOYSA-N
XLogP0.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-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 1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone?
The IUPAC name of 1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone (CID 126639080) is 1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone is CC(=O)C1CC2C(C)C2N1C.
What is the InChIKey of 1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone?
The InChIKey is YMTRYODVOPMEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-7-4-8(6(2)11)10(3)9(5)7/h5,7-9H,4H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone?
1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone has a molecular weight of 153.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl)ethanone is sourced from PubChem (CID 126639080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).