(4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline

C8H16N2 — CID 15650612

IUPAC(4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
SMILESC1CC[C@H]2NCCN[C@H]2C1
InChIInChI=1S/C8H16N2/c1-2-4-8-7(3-1)9-5-6-10-8/h7-10H,1-6H2/t7-,8+
InChIKeyMDEXMBGPIZUUBI-OCAPTIKFSA-N
MW140.23 g/mol
LogP0.49
Rot. Bonds

About (4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline

(4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline (PubChem CID 15650612) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline.

Molecular Properties

Compound Name(4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
PubChem CID15650612
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
SMILESC1CC[C@H]2NCCN[C@H]2C1
InChIInChI=1S/C8H16N2/c1-2-4-8-7(3-1)9-5-6-10-8/h7-10H,1-6H2/t7-,8+
InChIKeyMDEXMBGPIZUUBI-OCAPTIKFSA-N
XLogP0.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
The IUPAC name of (4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline (CID 15650612) is (4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline.
What is the SMILES notation for (4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
The canonical SMILES for (4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline is C1CC[C@H]2NCCN[C@H]2C1.
What is the InChIKey of (4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
The InChIKey is MDEXMBGPIZUUBI-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-4-8-7(3-1)9-5-6-10-8/h7-10H,1-6H2/t7-,8+.
What are the key properties of (4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
(4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline has a molecular weight of 140.23 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline is sourced from PubChem (CID 15650612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).