6-methyl-1-azabicyclo[3.1.0]hexan-2-one

C6H9NO — CID 143719689

IUPAC6-methyl-1-azabicyclo[3.1.0]hexan-2-one
SMILESCC1C2CCC(=O)N12
InChIInChI=1S/C6H9NO/c1-4-5-2-3-6(8)7(4)5/h4-5H,2-3H2,1H3
InChIKeyWFZHRENHPUFLOA-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.38
Rot. Bonds

About 6-methyl-1-azabicyclo[3.1.0]hexan-2-one

6-methyl-1-azabicyclo[3.1.0]hexan-2-one (PubChem CID 143719689) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 6-methyl-1-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name6-methyl-1-azabicyclo[3.1.0]hexan-2-one
PubChem CID143719689
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name6-methyl-1-azabicyclo[3.1.0]hexan-2-one
SMILESCC1C2CCC(=O)N12
InChIInChI=1S/C6H9NO/c1-4-5-2-3-6(8)7(4)5/h4-5H,2-3H2,1H3
InChIKeyWFZHRENHPUFLOA-UHFFFAOYSA-N
XLogP0.38
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 6-methyl-1-azabicyclo[3.1.0]hexan-2-one (CID 143719689) is 6-methyl-1-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 6-methyl-1-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 6-methyl-1-azabicyclo[3.1.0]hexan-2-one is CC1C2CCC(=O)N12.
What is the InChIKey of 6-methyl-1-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is WFZHRENHPUFLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-4-5-2-3-6(8)7(4)5/h4-5H,2-3H2,1H3.
What are the key properties of 6-methyl-1-azabicyclo[3.1.0]hexan-2-one?
6-methyl-1-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 111.14 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 143719689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).