ethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone

C10H19NO — CID 145136339

IUPACethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone
SMILESCC.CC(=O)C1C2CC2CN1C
InChIInChI=1S/C8H13NO.C2H6/c1-5(10)8-7-3-6(7)4-9(8)2;1-2/h6-8H,3-4H2,1-2H3;1-2H3
InChIKeyUIZTYFMOPUKWJP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.55
Rot. Bonds1

About ethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone

ethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone (PubChem CID 145136339) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone
PubChem CID145136339
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone
SMILESCC.CC(=O)C1C2CC2CN1C
InChIInChI=1S/C8H13NO.C2H6/c1-5(10)8-7-3-6(7)4-9(8)2;1-2/h6-8H,3-4H2,1-2H3;1-2H3
InChIKeyUIZTYFMOPUKWJP-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone?
The IUPAC name of ethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone (CID 145136339) is ethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone.
What is the SMILES notation for ethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone?
The canonical SMILES for ethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone is CC.CC(=O)C1C2CC2CN1C.
What is the InChIKey of ethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone?
The InChIKey is UIZTYFMOPUKWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C2H6/c1-5(10)8-7-3-6(7)4-9(8)2;1-2/h6-8H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone?
ethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone has a molecular weight of 169.27 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone is sourced from PubChem (CID 145136339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).