(8aS)-1,2,4a,8a-tetrahydroquinoxaline

C8H10N2 — CID 91805170

IUPAC(8aS)-1,2,4a,8a-tetrahydroquinoxaline
SMILESC1=CC2N=CCN[C@H]2C=C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-5,7-8,10H,6H2/t7?,8-/m0/s1
InChIKeyQEHOBCWYWXBMJU-MQWKRIRWSA-N
MW134.18 g/mol
LogP0.52
Rot. Bonds

About (8aS)-1,2,4a,8a-tetrahydroquinoxaline

(8aS)-1,2,4a,8a-tetrahydroquinoxaline (PubChem CID 91805170) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (8aS)-1,2,4a,8a-tetrahydroquinoxaline.

Molecular Properties

Compound Name(8aS)-1,2,4a,8a-tetrahydroquinoxaline
PubChem CID91805170
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(8aS)-1,2,4a,8a-tetrahydroquinoxaline
SMILESC1=CC2N=CCN[C@H]2C=C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-5,7-8,10H,6H2/t7?,8-/m0/s1
InChIKeyQEHOBCWYWXBMJU-MQWKRIRWSA-N
XLogP0.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,8a-Dihydro-1,5-naphthyridine
CID 19103933
1,2,4a,5-Tetrahydroquinoxaline
CID 22174869
1,2,3,4,4a,8a-Hexahydroquinoxaline
CID 22397619
2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline
CID 54508354
1,2,3,4,4a,5-Hexahydropyrido[2,3-f]quinoxaline
CID 67302414
1,2,4a,8a-Tetrahydroquinoxaline
CID 88984339
2,3,5a,9a-tetrahydro-1H-1,5-benzodiazepine
CID 90804015
2,3,5a,9a-tetrahydro-1H-1,4-benzodiazepine
CID 90980838
3,4,4a,8a-Tetrahydropyrido[2,3-b]pyrazine
CID 91017102
1,2,8,8a-Tetrahydro-1,6-naphthyridine
CID 91065138
1,2,6,8a-Tetrahydro-1,7-naphthyridine
CID 91151447
1,2,3,8a-Tetrahydro-1,5-naphthyridine
CID 91443759

Frequently Asked Questions

What is the IUPAC name of (8aS)-1,2,4a,8a-tetrahydroquinoxaline?
The IUPAC name of (8aS)-1,2,4a,8a-tetrahydroquinoxaline (CID 91805170) is (8aS)-1,2,4a,8a-tetrahydroquinoxaline.
What is the SMILES notation for (8aS)-1,2,4a,8a-tetrahydroquinoxaline?
The canonical SMILES for (8aS)-1,2,4a,8a-tetrahydroquinoxaline is C1=CC2N=CCN[C@H]2C=C1.
What is the InChIKey of (8aS)-1,2,4a,8a-tetrahydroquinoxaline?
The InChIKey is QEHOBCWYWXBMJU-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-5,7-8,10H,6H2/t7?,8-/m0/s1.
What are the key properties of (8aS)-1,2,4a,8a-tetrahydroquinoxaline?
(8aS)-1,2,4a,8a-tetrahydroquinoxaline has a molecular weight of 134.18 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-1,2,4a,8a-tetrahydroquinoxaline is sourced from PubChem (CID 91805170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).