5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one

C11H14N2O2 — CID 115095429

IUPAC5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one
SMILESCN1c2c(O)cccc2NC(=O)C1(C)C
InChIInChI=1S/C11H14N2O2/c1-11(2)10(15)12-7-5-4-6-8(14)9(7)13(11)3/h4-6,14H,1-3H3,(H,12,15)
InChIKeyRRSVHZFKZXCWDH-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.56
Rot. Bonds

About 5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one

5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one (PubChem CID 115095429) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one
PubChem CID115095429
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one
SMILESCN1c2c(O)cccc2NC(=O)C1(C)C
InChIInChI=1S/C11H14N2O2/c1-11(2)10(15)12-7-5-4-6-8(14)9(7)13(11)3/h4-6,14H,1-3H3,(H,12,15)
InChIKeyRRSVHZFKZXCWDH-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one?
The IUPAC name of 5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one (CID 115095429) is 5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one is CN1c2c(O)cccc2NC(=O)C1(C)C.
What is the InChIKey of 5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one?
The InChIKey is RRSVHZFKZXCWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2)10(15)12-7-5-4-6-8(14)9(7)13(11)3/h4-6,14H,1-3H3,(H,12,15).
What are the key properties of 5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one?
5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 115095429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).