3-(tert-Butyl)quinoxalin-2(1H)-one

HCID 23366188

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Basic information

Standard SMILES: CC(C)(C)c1nc2ccccc2[nH]c1=O
InChIKey: JLKJMBAGVSNLRT-UHFFFAOYSA-N
Molecular formula: C12H14N2O
Average molar mass: 202.25 g/mol

Names & identifiers

Preferred name: 3-(tert-Butyl)quinoxalin-2(1H)-one
IUPAC: 3-tert-butyl-1H-quinoxalin-2-one

Names & synonyms

91566-31-33-(tert-Butyl)quinoxalin-2(1H)-oneSCHEMBL2608419SCHEMBL9091174JLKJMBAGVSNLRT-UHFFFAOYSA-N2-t-butyl-3, 4-dihydro-3-oxoquinoxaline10.14272/JLKJMBAGVSNLRT-UHFFFAOYSA-N.2doi:10.14272/JLKJMBAGVSNLRT-UHFFFAOYSA-N.2

Database identifiers

PubChem CID: 23366188

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 301

Related reactions

1 records

New reaction record

HRID 1080885As productuspto-grants-1996_12

Compound notes

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