1,2,3,5,6,7-hexahydroquinoxaline

C8H12N2 — CID 11564482

IUPAC1,2,3,5,6,7-hexahydroquinoxaline
SMILESC1=C2NCCN=C2CCC1
InChIInChI=1S/C8H12N2/c1-2-4-8-7(3-1)9-5-6-10-8/h3,9H,1-2,4-6H2
InChIKeyHKACSQBEBHFUMT-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.10
Rot. Bonds

About 1,2,3,5,6,7-hexahydroquinoxaline

1,2,3,5,6,7-hexahydroquinoxaline (PubChem CID 11564482) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexahydroquinoxaline.

Molecular Properties

Compound Name1,2,3,5,6,7-hexahydroquinoxaline
PubChem CID11564482
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,2,3,5,6,7-hexahydroquinoxaline
SMILESC1=C2NCCN=C2CCC1
InChIInChI=1S/C8H12N2/c1-2-4-8-7(3-1)9-5-6-10-8/h3,9H,1-2,4-6H2
InChIKeyHKACSQBEBHFUMT-UHFFFAOYSA-N
XLogP1.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexahydroquinoxaline?
The IUPAC name of 1,2,3,5,6,7-hexahydroquinoxaline (CID 11564482) is 1,2,3,5,6,7-hexahydroquinoxaline.
What is the SMILES notation for 1,2,3,5,6,7-hexahydroquinoxaline?
The canonical SMILES for 1,2,3,5,6,7-hexahydroquinoxaline is C1=C2NCCN=C2CCC1.
What is the InChIKey of 1,2,3,5,6,7-hexahydroquinoxaline?
The InChIKey is HKACSQBEBHFUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-4-8-7(3-1)9-5-6-10-8/h3,9H,1-2,4-6H2.
What are the key properties of 1,2,3,5,6,7-hexahydroquinoxaline?
1,2,3,5,6,7-hexahydroquinoxaline has a molecular weight of 136.20 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexahydroquinoxaline is sourced from PubChem (CID 11564482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).