4a,5,8,8a-tetrahydroquinoxaline

C8H10N2 — CID 58901459

IUPAC4a,5,8,8a-tetrahydroquinoxaline
SMILESC1=CCC2N=CC=NC2C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-2,5-8H,3-4H2
InChIKeyUDBWKNJXBCPZAU-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.23
Rot. Bonds

About 4a,5,8,8a-tetrahydroquinoxaline

4a,5,8,8a-tetrahydroquinoxaline (PubChem CID 58901459) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4a,5,8,8a-tetrahydroquinoxaline.

Molecular Properties

Compound Name4a,5,8,8a-tetrahydroquinoxaline
PubChem CID58901459
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4a,5,8,8a-tetrahydroquinoxaline
SMILESC1=CCC2N=CC=NC2C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-2,5-8H,3-4H2
InChIKeyUDBWKNJXBCPZAU-UHFFFAOYSA-N
XLogP1.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4a,5,8,8a-tetrahydroquinoxaline?
The IUPAC name of 4a,5,8,8a-tetrahydroquinoxaline (CID 58901459) is 4a,5,8,8a-tetrahydroquinoxaline.
What is the SMILES notation for 4a,5,8,8a-tetrahydroquinoxaline?
The canonical SMILES for 4a,5,8,8a-tetrahydroquinoxaline is C1=CCC2N=CC=NC2C1.
What is the InChIKey of 4a,5,8,8a-tetrahydroquinoxaline?
The InChIKey is UDBWKNJXBCPZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-2,5-8H,3-4H2.
What are the key properties of 4a,5,8,8a-tetrahydroquinoxaline?
4a,5,8,8a-tetrahydroquinoxaline has a molecular weight of 134.18 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,8,8a-tetrahydroquinoxaline is sourced from PubChem (CID 58901459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).