4a,5,6,7,8,8a-hexahydroquinoxaline

C8H12N2 — CID 54287882

IUPAC4a,5,6,7,8,8a-hexahydroquinoxaline
SMILESC1=NC2CCCCC2N=C1
InChIInChI=1S/C8H12N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-8H,1-4H2
InChIKeyRVLFURWOFPFJOD-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.45
Rot. Bonds

About 4a,5,6,7,8,8a-hexahydroquinoxaline

4a,5,6,7,8,8a-hexahydroquinoxaline (PubChem CID 54287882) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4a,5,6,7,8,8a-hexahydroquinoxaline.

Molecular Properties

Compound Name4a,5,6,7,8,8a-hexahydroquinoxaline
PubChem CID54287882
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4a,5,6,7,8,8a-hexahydroquinoxaline
SMILESC1=NC2CCCCC2N=C1
InChIInChI=1S/C8H12N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-8H,1-4H2
InChIKeyRVLFURWOFPFJOD-UHFFFAOYSA-N
XLogP1.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,5,6,7,8,8a-hexahydroquinoxaline?
The IUPAC name of 4a,5,6,7,8,8a-hexahydroquinoxaline (CID 54287882) is 4a,5,6,7,8,8a-hexahydroquinoxaline.
What is the SMILES notation for 4a,5,6,7,8,8a-hexahydroquinoxaline?
The canonical SMILES for 4a,5,6,7,8,8a-hexahydroquinoxaline is C1=NC2CCCCC2N=C1.
What is the InChIKey of 4a,5,6,7,8,8a-hexahydroquinoxaline?
The InChIKey is RVLFURWOFPFJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-8H,1-4H2.
What are the key properties of 4a,5,6,7,8,8a-hexahydroquinoxaline?
4a,5,6,7,8,8a-hexahydroquinoxaline has a molecular weight of 136.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,7,8,8a-hexahydroquinoxaline is sourced from PubChem (CID 54287882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).