2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde

C10H10N2O2 — CID 83483766

IUPAC2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde
SMILESCC1Nc2ccc(C=O)cc2NC1=O
InChIInChI=1S/C10H10N2O2/c1-6-10(14)12-9-4-7(5-13)2-3-8(9)11-6/h2-6,11H,1H3,(H,12,14)
InChIKeyGMMGMRUFNMLCOX-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.25
Rot. Bonds1

About 2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde

2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde (PubChem CID 83483766) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde
PubChem CID83483766
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde
SMILESCC1Nc2ccc(C=O)cc2NC1=O
InChIInChI=1S/C10H10N2O2/c1-6-10(14)12-9-4-7(5-13)2-3-8(9)11-6/h2-6,11H,1H3,(H,12,14)
InChIKeyGMMGMRUFNMLCOX-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde?
The IUPAC name of 2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde (CID 83483766) is 2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde.
What is the SMILES notation for 2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde?
The canonical SMILES for 2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde is CC1Nc2ccc(C=O)cc2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde?
The InChIKey is GMMGMRUFNMLCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-10(14)12-9-4-7(5-13)2-3-8(9)11-6/h2-6,11H,1H3,(H,12,14).
What are the key properties of 2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde?
2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbaldehyde is sourced from PubChem (CID 83483766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).