8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde

C11H12N2O2 — CID 13222185

IUPAC8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde
SMILESCC(=O)c1ccc(C=O)c2c1NCCN2
InChIInChI=1S/C11H12N2O2/c1-7(15)9-3-2-8(6-14)10-11(9)13-5-4-12-10/h2-3,6,12-13H,4-5H2,1H3
InChIKeyGNAICIWYNGPBKN-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.54
Rot. Bonds2

About 8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde

8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde (PubChem CID 13222185) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde.

Molecular Properties

Compound Name8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde
PubChem CID13222185
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde
SMILESCC(=O)c1ccc(C=O)c2c1NCCN2
InChIInChI=1S/C11H12N2O2/c1-7(15)9-3-2-8(6-14)10-11(9)13-5-4-12-10/h2-3,6,12-13H,4-5H2,1H3
InChIKeyGNAICIWYNGPBKN-UHFFFAOYSA-N
XLogP1.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde?
The IUPAC name of 8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde (CID 13222185) is 8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde.
What is the SMILES notation for 8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde?
The canonical SMILES for 8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde is CC(=O)c1ccc(C=O)c2c1NCCN2.
What is the InChIKey of 8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde?
The InChIKey is GNAICIWYNGPBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(15)9-3-2-8(6-14)10-11(9)13-5-4-12-10/h2-3,6,12-13H,4-5H2,1H3.
What are the key properties of 8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde?
8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde has a molecular weight of 204.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde is sourced from PubChem (CID 13222185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).