1,2,3,4,4a,5,8,8a-octahydroquinoxaline

C8H14N2 — CID 89427467

IUPAC1,2,3,4,4a,5,8,8a-octahydroquinoxaline
SMILESC1=CCC2NCCNC2C1
InChIInChI=1S/C8H14N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-2,7-10H,3-6H2
InChIKeyRLINPJZPPJRFNZ-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.27
Rot. Bonds

About 1,2,3,4,4a,5,8,8a-octahydroquinoxaline

1,2,3,4,4a,5,8,8a-octahydroquinoxaline (PubChem CID 89427467) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,2,3,4,4a,5,8,8a-octahydroquinoxaline.

Molecular Properties

Compound Name1,2,3,4,4a,5,8,8a-octahydroquinoxaline
PubChem CID89427467
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1,2,3,4,4a,5,8,8a-octahydroquinoxaline
SMILESC1=CCC2NCCNC2C1
InChIInChI=1S/C8H14N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-2,7-10H,3-6H2
InChIKeyRLINPJZPPJRFNZ-UHFFFAOYSA-N
XLogP0.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2,3,4,4a,5,8,8a-octahydroquinoxaline 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 1,2,3,4,4a,5,8,8a-octahydroquinoxaline?
The IUPAC name of 1,2,3,4,4a,5,8,8a-octahydroquinoxaline (CID 89427467) is 1,2,3,4,4a,5,8,8a-octahydroquinoxaline.
What is the SMILES notation for 1,2,3,4,4a,5,8,8a-octahydroquinoxaline?
The canonical SMILES for 1,2,3,4,4a,5,8,8a-octahydroquinoxaline is C1=CCC2NCCNC2C1.
What is the InChIKey of 1,2,3,4,4a,5,8,8a-octahydroquinoxaline?
The InChIKey is RLINPJZPPJRFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-2,7-10H,3-6H2.
What are the key properties of 1,2,3,4,4a,5,8,8a-octahydroquinoxaline?
1,2,3,4,4a,5,8,8a-octahydroquinoxaline has a molecular weight of 138.21 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,8,8a-octahydroquinoxaline is sourced from PubChem (CID 89427467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).