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

C8H13NO — CID 77427420

IUPAC1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
SMILESCC(=O)N1CC2CC2C1C
InChIInChI=1S/C8H13NO/c1-5-8-3-7(8)4-9(5)6(2)10/h5,7-8H,3-4H2,1-2H3
InChIKeyAMPOPAOFEZFOSK-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.87
Rot. Bonds

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

1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone (PubChem CID 77427420) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
PubChem CID77427420
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
SMILESCC(=O)N1CC2CC2C1C
InChIInChI=1S/C8H13NO/c1-5-8-3-7(8)4-9(5)6(2)10/h5,7-8H,3-4H2,1-2H3
InChIKeyAMPOPAOFEZFOSK-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone (CID 77427420) is 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone is CC(=O)N1CC2CC2C1C.
What is the InChIKey of 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
The InChIKey is AMPOPAOFEZFOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-8-3-7(8)4-9(5)6(2)10/h5,7-8H,3-4H2,1-2H3.
What are the key properties of 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone has a molecular weight of 139.20 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone is sourced from PubChem (CID 77427420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).