4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one

C13H20N2O — CID 134369157

IUPAC4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one
SMILESCC1CC=CC2=C1N(C(C)(C)C)CC(=O)N2
InChIInChI=1S/C13H20N2O/c1-9-6-5-7-10-12(9)15(13(2,3)4)8-11(16)14-10/h5,7,9H,6,8H2,1-4H3,(H,14,16)
InChIKeyHDTKWDHZQXBFJG-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.02
Rot. Bonds

About 4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one

4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one (PubChem CID 134369157) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one.

Molecular Properties

Compound Name4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one
PubChem CID134369157
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one
SMILESCC1CC=CC2=C1N(C(C)(C)C)CC(=O)N2
InChIInChI=1S/C13H20N2O/c1-9-6-5-7-10-12(9)15(13(2,3)4)8-11(16)14-10/h5,7,9H,6,8H2,1-4H3,(H,14,16)
InChIKeyHDTKWDHZQXBFJG-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one?
The IUPAC name of 4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one (CID 134369157) is 4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one.
What is the SMILES notation for 4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one?
The canonical SMILES for 4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one is CC1CC=CC2=C1N(C(C)(C)C)CC(=O)N2.
What is the InChIKey of 4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one?
The InChIKey is HDTKWDHZQXBFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-6-5-7-10-12(9)15(13(2,3)4)8-11(16)14-10/h5,7,9H,6,8H2,1-4H3,(H,14,16).
What are the key properties of 4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one?
4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one is sourced from PubChem (CID 134369157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).