1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one

C6H8N2O — CID 166785658

IUPAC1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one
SMILESCN1C(=O)N1C1C2CC21
InChIInChI=1S/C6H8N2O/c1-7-6(9)8(7)5-3-2-4(3)5/h3-5H,2H2,1H3
InChIKeyXWGQTJKUUOUYAO-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.29
Rot. Bonds1

About 1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one

1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one (PubChem CID 166785658) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one.

Molecular Properties

Compound Name1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one
PubChem CID166785658
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one
SMILESCN1C(=O)N1C1C2CC21
InChIInChI=1S/C6H8N2O/c1-7-6(9)8(7)5-3-2-4(3)5/h3-5H,2H2,1H3
InChIKeyXWGQTJKUUOUYAO-UHFFFAOYSA-N
XLogP0.29
TPSA23.09 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.29
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 1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one?
The IUPAC name of 1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one (CID 166785658) is 1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one.
What is the SMILES notation for 1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one?
The canonical SMILES for 1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one is CN1C(=O)N1C1C2CC21.
What is the InChIKey of 1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one?
The InChIKey is XWGQTJKUUOUYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-7-6(9)8(7)5-3-2-4(3)5/h3-5H,2H2,1H3.
What are the key properties of 1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one?
1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one has a molecular weight of 124.14 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one is sourced from PubChem (CID 166785658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).