5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one

C10H12N2O2 — CID 115096457

IUPAC5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1CC(=O)Nc2cccc(CO)c21
InChIInChI=1S/C10H12N2O2/c1-12-5-9(14)11-8-4-2-3-7(6-13)10(8)12/h2-4,13H,5-6H2,1H3,(H,11,14)
InChIKeyDIGMXCAQUCGVTM-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.57
Rot. Bonds1

About 5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one

5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 115096457) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID115096457
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1CC(=O)Nc2cccc(CO)c21
InChIInChI=1S/C10H12N2O2/c1-12-5-9(14)11-8-4-2-3-7(6-13)10(8)12/h2-4,13H,5-6H2,1H3,(H,11,14)
InChIKeyDIGMXCAQUCGVTM-UHFFFAOYSA-N
XLogP0.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one (CID 115096457) is 5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one is CN1CC(=O)Nc2cccc(CO)c21.
What is the InChIKey of 5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is DIGMXCAQUCGVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-12-5-9(14)11-8-4-2-3-7(6-13)10(8)12/h2-4,13H,5-6H2,1H3,(H,11,14).
What are the key properties of 5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one?
5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 115096457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).