(4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline

C8H14N2 — CID 89431622

IUPAC(4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline
SMILESC1=CC[C@H]2NCCNC2C1
InChIInChI=1S/C8H14N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-2,7-10H,3-6H2/t7-,8?/m1/s1
InChIKeyRLINPJZPPJRFNZ-GVHYBUMESA-N
MW138.21 g/mol
LogP0.27
Rot. Bonds

About (4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline

(4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline (PubChem CID 89431622) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline.

Molecular Properties

Compound Name(4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline
PubChem CID89431622
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline
SMILESC1=CC[C@H]2NCCNC2C1
InChIInChI=1S/C8H14N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-2,7-10H,3-6H2/t7-,8?/m1/s1
InChIKeyRLINPJZPPJRFNZ-GVHYBUMESA-N
XLogP0.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

Octahydroquinoxaline
CID 17946338
3,9-Diazabicyclo[3,3,1]non-6-ene
CID 67239375
Hexahydroquinoxaline
CID 69378669
Tetrahydro-2,3-dimethylenequinoxaline
CID 129810217
(2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine
CID 134925876
2-Piperidin-2-yl-1,2,3,6-tetrahydropyridine
CID 4866678
1-(Cyclopenten-3-yl) piperazine
CID 14839580
1-Cyclohept-3-en-1-ylpiperazine
CID 17929202
2-[(E)-hex-2-enyl]piperazine
CID 18958795
2,3,4,4a,5,6,7,9a-octahydro-1H-pyrido[3,2-b]azepine
CID 19881641
1-(Cyclohex-3-en-1-yl)piperazine
CID 19958534
1-Cyclohept-4-en-1-ylpiperazine
CID 20232226

Frequently Asked Questions

What is the IUPAC name of (4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline?
The IUPAC name of (4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline (CID 89431622) is (4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline.
What is the SMILES notation for (4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline?
The canonical SMILES for (4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline is C1=CC[C@H]2NCCNC2C1.
What is the InChIKey of (4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline?
The InChIKey is RLINPJZPPJRFNZ-GVHYBUMESA-N. The full InChI is InChI=1S/C8H14N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-2,7-10H,3-6H2/t7-,8?/m1/s1.
What are the key properties of (4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline?
(4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline has a molecular weight of 138.21 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-1,2,3,4,4a,5,8,8a-octahydroquinoxaline is sourced from PubChem (CID 89431622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).