7-methyl-1,2,8,8a-tetrahydroquinoxaline

C9H12N2 — CID 130349886

IUPAC7-methyl-1,2,8,8a-tetrahydroquinoxaline
SMILESCC1=CC=C2N=CCNC2C1
InChIInChI=1S/C9H12N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-4,9,11H,5-6H2,1H3
InChIKeyXYNAVBRQRYXKQE-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.26
Rot. Bonds

About 7-methyl-1,2,8,8a-tetrahydroquinoxaline

7-methyl-1,2,8,8a-tetrahydroquinoxaline (PubChem CID 130349886) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 7-methyl-1,2,8,8a-tetrahydroquinoxaline.

Molecular Properties

Compound Name7-methyl-1,2,8,8a-tetrahydroquinoxaline
PubChem CID130349886
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name7-methyl-1,2,8,8a-tetrahydroquinoxaline
SMILESCC1=CC=C2N=CCNC2C1
InChIInChI=1S/C9H12N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-4,9,11H,5-6H2,1H3
InChIKeyXYNAVBRQRYXKQE-UHFFFAOYSA-N
XLogP1.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,8,8a-tetrahydroquinoxaline?
The IUPAC name of 7-methyl-1,2,8,8a-tetrahydroquinoxaline (CID 130349886) is 7-methyl-1,2,8,8a-tetrahydroquinoxaline.
What is the SMILES notation for 7-methyl-1,2,8,8a-tetrahydroquinoxaline?
The canonical SMILES for 7-methyl-1,2,8,8a-tetrahydroquinoxaline is CC1=CC=C2N=CCNC2C1.
What is the InChIKey of 7-methyl-1,2,8,8a-tetrahydroquinoxaline?
The InChIKey is XYNAVBRQRYXKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-4,9,11H,5-6H2,1H3.
What are the key properties of 7-methyl-1,2,8,8a-tetrahydroquinoxaline?
7-methyl-1,2,8,8a-tetrahydroquinoxaline has a molecular weight of 148.21 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,8,8a-tetrahydroquinoxaline is sourced from PubChem (CID 130349886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).