(4aS)-4a,8a-dihydroquinoxaline

C8H8N2 — CID 90886282

IUPAC(4aS)-4a,8a-dihydroquinoxaline
SMILESC1=CC2N=CC=N[C@H]2C=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-8H/t7-,8?/m0/s1
InChIKeyCRHYEWXNDWICNE-JAMMHHFISA-N
MW132.17 g/mol
LogP1.00
Rot. Bonds

About (4aS)-4a,8a-dihydroquinoxaline

(4aS)-4a,8a-dihydroquinoxaline (PubChem CID 90886282) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is (4aS)-4a,8a-dihydroquinoxaline.

Molecular Properties

Compound Name(4aS)-4a,8a-dihydroquinoxaline
PubChem CID90886282
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name(4aS)-4a,8a-dihydroquinoxaline
SMILESC1=CC2N=CC=N[C@H]2C=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-8H/t7-,8?/m0/s1
InChIKeyCRHYEWXNDWICNE-JAMMHHFISA-N
XLogP1.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4a,8a-Dihydroquinoxaline
CID 21025825
6,7-Dihydroquinoxaline
CID 21838780
8,8a-Dihydroquinoline
CID 57104900
(4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline
CID 57156092
3-Methyl-3,8a-dihydroquinoline
CID 58797905
4a,5,8,8a-Tetrahydroquinoxaline
CID 58901459
6-Methyl-4a,8a-dihydroquinoxaline
CID 59199659
2-Methyl-2,3-dihydroquinoxaline
CID 69756146
2-Ethenyl-2,3-dihydroquinoxaline
CID 89073663
2-Methyl-4a,8a-dihydro-1,5-naphthyridine
CID 89093828
2-Propan-2-yl-4a,8a-dihydroquinoxaline
CID 89171962
2-Methyl-4a,8a-dihydroquinoxaline
CID 89172182

Frequently Asked Questions

What is the IUPAC name of (4aS)-4a,8a-dihydroquinoxaline?
The IUPAC name of (4aS)-4a,8a-dihydroquinoxaline (CID 90886282) is (4aS)-4a,8a-dihydroquinoxaline.
What is the SMILES notation for (4aS)-4a,8a-dihydroquinoxaline?
The canonical SMILES for (4aS)-4a,8a-dihydroquinoxaline is C1=CC2N=CC=N[C@H]2C=C1.
What is the InChIKey of (4aS)-4a,8a-dihydroquinoxaline?
The InChIKey is CRHYEWXNDWICNE-JAMMHHFISA-N. The full InChI is InChI=1S/C8H8N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-8H/t7-,8?/m0/s1.
What are the key properties of (4aS)-4a,8a-dihydroquinoxaline?
(4aS)-4a,8a-dihydroquinoxaline has a molecular weight of 132.17 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-4a,8a-dihydroquinoxaline is sourced from PubChem (CID 90886282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).