2-(1H-quinoxalin-2-ylidene)acetonitrile

C10H7N3 — CID 131855235

IUPAC2-(1H-quinoxalin-2-ylidene)acetonitrile
SMILESN#CC=C1C=Nc2ccccc2N1
InChIInChI=1S/C10H7N3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-5,7,13H
InChIKeyCYLQRTJTVRREHJ-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.22
Rot. Bonds

About 2-(1H-quinoxalin-2-ylidene)acetonitrile

2-(1H-quinoxalin-2-ylidene)acetonitrile (PubChem CID 131855235) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-(1H-quinoxalin-2-ylidene)acetonitrile.

Molecular Properties

Compound Name2-(1H-quinoxalin-2-ylidene)acetonitrile
PubChem CID131855235
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name2-(1H-quinoxalin-2-ylidene)acetonitrile
SMILESN#CC=C1C=Nc2ccccc2N1
InChIInChI=1S/C10H7N3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-5,7,13H
InChIKeyCYLQRTJTVRREHJ-UHFFFAOYSA-N
XLogP2.22
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1H-quinoxalin-2-ylidene)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-quinoxalin-2-ylidene)acetonitrile?
The IUPAC name of 2-(1H-quinoxalin-2-ylidene)acetonitrile (CID 131855235) is 2-(1H-quinoxalin-2-ylidene)acetonitrile.
What is the SMILES notation for 2-(1H-quinoxalin-2-ylidene)acetonitrile?
The canonical SMILES for 2-(1H-quinoxalin-2-ylidene)acetonitrile is N#CC=C1C=Nc2ccccc2N1.
What is the InChIKey of 2-(1H-quinoxalin-2-ylidene)acetonitrile?
The InChIKey is CYLQRTJTVRREHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-5,7,13H.
What are the key properties of 2-(1H-quinoxalin-2-ylidene)acetonitrile?
2-(1H-quinoxalin-2-ylidene)acetonitrile has a molecular weight of 169.19 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-quinoxalin-2-ylidene)acetonitrile is sourced from PubChem (CID 131855235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).