2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol

C13H16N2O — CID 11298891

IUPAC2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol
SMILESCC(C)(C)C(O)c1cnc2ccccc2n1
InChIInChI=1S/C13H16N2O/c1-13(2,3)12(16)11-8-14-9-6-4-5-7-10(9)15-11/h4-8,12,16H,1-3H3
InChIKeyJVVFIUDBTUIAMU-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.71
Rot. Bonds1

About 2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol

2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol (PubChem CID 11298891) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol
PubChem CID11298891
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol
SMILESCC(C)(C)C(O)c1cnc2ccccc2n1
InChIInChI=1S/C13H16N2O/c1-13(2,3)12(16)11-8-14-9-6-4-5-7-10(9)15-11/h4-8,12,16H,1-3H3
InChIKeyJVVFIUDBTUIAMU-UHFFFAOYSA-N
XLogP2.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol?
The IUPAC name of 2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol (CID 11298891) is 2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol is CC(C)(C)C(O)c1cnc2ccccc2n1.
What is the InChIKey of 2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol?
The InChIKey is JVVFIUDBTUIAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2,3)12(16)11-8-14-9-6-4-5-7-10(9)15-11/h4-8,12,16H,1-3H3.
What are the key properties of 2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol?
2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-quinoxalin-2-ylpropan-1-ol is sourced from PubChem (CID 11298891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).