1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone

C9H15NO — CID 20613029

IUPAC1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone
SMILESCC(=O)C1CC2CC2CN1C
InChIInChI=1S/C9H15NO/c1-6(11)9-4-7-3-8(7)5-10(9)2/h7-9H,3-5H2,1-2H3
InChIKeyGDDZXPUAWJJHJO-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.92
Rot. Bonds1

About 1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone

1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone (PubChem CID 20613029) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone
PubChem CID20613029
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone
SMILESCC(=O)C1CC2CC2CN1C
InChIInChI=1S/C9H15NO/c1-6(11)9-4-7-3-8(7)5-10(9)2/h7-9H,3-5H2,1-2H3
InChIKeyGDDZXPUAWJJHJO-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone?
The IUPAC name of 1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone (CID 20613029) is 1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone?
The canonical SMILES for 1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone is CC(=O)C1CC2CC2CN1C.
What is the InChIKey of 1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone?
The InChIKey is GDDZXPUAWJJHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(11)9-4-7-3-8(7)5-10(9)2/h7-9H,3-5H2,1-2H3.
What are the key properties of 1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone?
1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone has a molecular weight of 153.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone is sourced from PubChem (CID 20613029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).