1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone

C10H15NO2 — CID 58019832

IUPAC1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone
SMILESCC(=O)C12CC1C1(CO1)C(C)N2C
InChIInChI=1S/C10H15NO2/c1-6-10(5-13-10)8-4-9(8,7(2)12)11(6)3/h6,8H,4-5H2,1-3H3
InChIKeyXYFPMBHTUYKIGU-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.44
Rot. Bonds1

About 1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone

1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone (PubChem CID 58019832) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone
PubChem CID58019832
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone
SMILESCC(=O)C12CC1C1(CO1)C(C)N2C
InChIInChI=1S/C10H15NO2/c1-6-10(5-13-10)8-4-9(8,7(2)12)11(6)3/h6,8H,4-5H2,1-3H3
InChIKeyXYFPMBHTUYKIGU-UHFFFAOYSA-N
XLogP0.44
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone?
The IUPAC name of 1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone (CID 58019832) is 1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone is CC(=O)C12CC1C1(CO1)C(C)N2C.
What is the InChIKey of 1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone?
The InChIKey is XYFPMBHTUYKIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6-10(5-13-10)8-4-9(8,7(2)12)11(6)3/h6,8H,4-5H2,1-3H3.
What are the key properties of 1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone?
1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone has a molecular weight of 181.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylspiro[2-azabicyclo[3.1.0]hexane-4,2'-oxirane]-1-yl)ethanone is sourced from PubChem (CID 58019832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).