tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate

C13H18N2O2 — CID 16740533

IUPACtert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNc2ccccc21
InChIInChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-9-8-14-10-6-4-5-7-11(10)15/h4-7,14H,8-9H2,1-3H3
InChIKeyDXXFPGTUHSMYSG-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.85
Rot. Bonds

About tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate

tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate (PubChem CID 16740533) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate
PubChem CID16740533
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nametert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNc2ccccc21
InChIInChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-9-8-14-10-6-4-5-7-11(10)15/h4-7,14H,8-9H2,1-3H3
InChIKeyDXXFPGTUHSMYSG-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate?
The IUPAC name of tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate (CID 16740533) is tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate.
What is the SMILES notation for tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate?
The canonical SMILES for tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate is CC(C)(C)OC(=O)N1CCNc2ccccc21.
What is the InChIKey of tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate?
The InChIKey is DXXFPGTUHSMYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-9-8-14-10-6-4-5-7-11(10)15/h4-7,14H,8-9H2,1-3H3.
What are the key properties of tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate?
tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate is sourced from PubChem (CID 16740533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).