(4aR,8aS)-4a,8a-dimethylquinoxaline

C10H12N2 — CID 163672136

IUPAC(4aR,8aS)-4a,8a-dimethylquinoxaline
SMILESC[C@@]12C=CC=C[C@]1(C)N=CC=N2
InChIInChI=1S/C10H12N2/c1-9-5-3-4-6-10(9,2)12-8-7-11-9/h3-8H,1-2H3/t9-,10+
InChIKeyJDMCVCWWVVGEHX-AOOOYVTPSA-N
MW160.22 g/mol
LogP1.78
Rot. Bonds

About (4aR,8aS)-4a,8a-dimethylquinoxaline

(4aR,8aS)-4a,8a-dimethylquinoxaline (PubChem CID 163672136) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (4aR,8aS)-4a,8a-dimethylquinoxaline.

Molecular Properties

Compound Name(4aR,8aS)-4a,8a-dimethylquinoxaline
PubChem CID163672136
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(4aR,8aS)-4a,8a-dimethylquinoxaline
SMILESC[C@@]12C=CC=C[C@]1(C)N=CC=N2
InChIInChI=1S/C10H12N2/c1-9-5-3-4-6-10(9,2)12-8-7-11-9/h3-8H,1-2H3/t9-,10+
InChIKeyJDMCVCWWVVGEHX-AOOOYVTPSA-N
XLogP1.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-4a,8a-dimethylquinoxaline?
The IUPAC name of (4aR,8aS)-4a,8a-dimethylquinoxaline (CID 163672136) is (4aR,8aS)-4a,8a-dimethylquinoxaline.
What is the SMILES notation for (4aR,8aS)-4a,8a-dimethylquinoxaline?
The canonical SMILES for (4aR,8aS)-4a,8a-dimethylquinoxaline is C[C@@]12C=CC=C[C@]1(C)N=CC=N2.
What is the InChIKey of (4aR,8aS)-4a,8a-dimethylquinoxaline?
The InChIKey is JDMCVCWWVVGEHX-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H12N2/c1-9-5-3-4-6-10(9,2)12-8-7-11-9/h3-8H,1-2H3/t9-,10+.
What are the key properties of (4aR,8aS)-4a,8a-dimethylquinoxaline?
(4aR,8aS)-4a,8a-dimethylquinoxaline has a molecular weight of 160.22 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-4a,8a-dimethylquinoxaline is sourced from PubChem (CID 163672136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).