1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone

C10H17NO — CID 170366318

IUPAC1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone
SMILESCC(=O)C12CC1CCN2C(C)C
InChIInChI=1S/C10H17NO/c1-7(2)11-5-4-9-6-10(9,11)8(3)12/h7,9H,4-6H2,1-3H3
InChIKeyKBFLPTBKVVBQFB-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds2

About 1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone

1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone (PubChem CID 170366318) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone
PubChem CID170366318
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone
SMILESCC(=O)C12CC1CCN2C(C)C
InChIInChI=1S/C10H17NO/c1-7(2)11-5-4-9-6-10(9,11)8(3)12/h7,9H,4-6H2,1-3H3
InChIKeyKBFLPTBKVVBQFB-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-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-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone?
The IUPAC name of 1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone (CID 170366318) is 1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone.
What is the SMILES notation for 1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone?
The canonical SMILES for 1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone is CC(=O)C12CC1CCN2C(C)C.
What is the InChIKey of 1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone?
The InChIKey is KBFLPTBKVVBQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)11-5-4-9-6-10(9,11)8(3)12/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone?
1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone is sourced from PubChem (CID 170366318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).