1,2,3,7,8,8a-hexahydroquinoxaline

C8H12N2 — CID 91202052

IUPAC1,2,3,7,8,8a-hexahydroquinoxaline
SMILESC1=CC2=NCCNC2CC1
InChIInChI=1S/C8H12N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1,3,8,10H,2,4-6H2
InChIKeyJJSCUUPIZGNLLY-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.75
Rot. Bonds

About 1,2,3,7,8,8a-hexahydroquinoxaline

1,2,3,7,8,8a-hexahydroquinoxaline (PubChem CID 91202052) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,2,3,7,8,8a-hexahydroquinoxaline.

Molecular Properties

Compound Name1,2,3,7,8,8a-hexahydroquinoxaline
PubChem CID91202052
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,2,3,7,8,8a-hexahydroquinoxaline
SMILESC1=CC2=NCCNC2CC1
InChIInChI=1S/C8H12N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1,3,8,10H,2,4-6H2
InChIKeyJJSCUUPIZGNLLY-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,5,6,7-Hexahydroquinoxaline
CID 11564482
3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline
CID 57043520
1,2,3,5,8,8a-Hexahydroquinoxaline
CID 57107857
2,3,6,9a-tetrahydro-1H-pyrido[3,4-b]indole
CID 57125637
1,2,3,4,6,8a-Hexahydro-1,5-naphthyridine
CID 68747901
2,3,4,6,7,8-Hexahydro-1,7-naphthyridine
CID 90932734
1,2,6,7,8,8a-Hexahydro-1,5-naphthyridine
CID 91801931
1,2,6,8a-Tetrahydro-1,5-naphthyridine
CID 91802482
N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine
CID 123262214
2-(cyclohex-2-en-1-ylideneamino)-N-methylethanamine
CID 123408588
6-(1,2,3,6-Tetrahydropyridin-6-yl)-2,3,4,5-tetrahydropyridine
CID 123843797
1,2,3,8a-Tetrahydroquinoxaline;ethane
CID 141799549

Frequently Asked Questions

What is the IUPAC name of 1,2,3,7,8,8a-hexahydroquinoxaline?
The IUPAC name of 1,2,3,7,8,8a-hexahydroquinoxaline (CID 91202052) is 1,2,3,7,8,8a-hexahydroquinoxaline.
What is the SMILES notation for 1,2,3,7,8,8a-hexahydroquinoxaline?
The canonical SMILES for 1,2,3,7,8,8a-hexahydroquinoxaline is C1=CC2=NCCNC2CC1.
What is the InChIKey of 1,2,3,7,8,8a-hexahydroquinoxaline?
The InChIKey is JJSCUUPIZGNLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1,3,8,10H,2,4-6H2.
What are the key properties of 1,2,3,7,8,8a-hexahydroquinoxaline?
1,2,3,7,8,8a-hexahydroquinoxaline has a molecular weight of 136.20 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,7,8,8a-hexahydroquinoxaline is sourced from PubChem (CID 91202052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).