6-(isocyanomethyl)quinoxaline

C10H7N3 — CID 59166116

IUPAC6-(isocyanomethyl)quinoxaline
SMILES[C-]#[N+]Cc1ccc2nccnc2c1
InChIInChI=1S/C10H7N3/c1-11-7-8-2-3-9-10(6-8)13-5-4-12-9/h2-6H,7H2
InChIKeyHOZLQCLVOVBZEK-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.05
Rot. Bonds1

About 6-(isocyanomethyl)quinoxaline

6-(isocyanomethyl)quinoxaline (PubChem CID 59166116) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 6-(isocyanomethyl)quinoxaline.

Molecular Properties

Compound Name6-(isocyanomethyl)quinoxaline
PubChem CID59166116
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name6-(isocyanomethyl)quinoxaline
SMILES[C-]#[N+]Cc1ccc2nccnc2c1
InChIInChI=1S/C10H7N3/c1-11-7-8-2-3-9-10(6-8)13-5-4-12-9/h2-6H,7H2
InChIKeyHOZLQCLVOVBZEK-UHFFFAOYSA-N
XLogP2.05
TPSA30.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(isocyanomethyl)quinoxaline?
The IUPAC name of 6-(isocyanomethyl)quinoxaline (CID 59166116) is 6-(isocyanomethyl)quinoxaline.
What is the SMILES notation for 6-(isocyanomethyl)quinoxaline?
The canonical SMILES for 6-(isocyanomethyl)quinoxaline is [C-]#[N+]Cc1ccc2nccnc2c1.
What is the InChIKey of 6-(isocyanomethyl)quinoxaline?
The InChIKey is HOZLQCLVOVBZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c1-11-7-8-2-3-9-10(6-8)13-5-4-12-9/h2-6H,7H2.
What are the key properties of 6-(isocyanomethyl)quinoxaline?
6-(isocyanomethyl)quinoxaline has a molecular weight of 169.19 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(isocyanomethyl)quinoxaline is sourced from PubChem (CID 59166116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).