5-methyl-5,6,7,8-tetrahydroquinoxaline

C9H12N2 — CID 21036679

IUPAC5-methyl-5,6,7,8-tetrahydroquinoxaline
SMILESCC1CCCc2nccnc21
InChIInChI=1S/C9H12N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h5-7H,2-4H2,1H3
InChIKeyJPKFXMPIYYDRJK-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.92
Rot. Bonds

About 5-methyl-5,6,7,8-tetrahydroquinoxaline

5-methyl-5,6,7,8-tetrahydroquinoxaline (PubChem CID 21036679) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-methyl-5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name5-methyl-5,6,7,8-tetrahydroquinoxaline
PubChem CID21036679
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-methyl-5,6,7,8-tetrahydroquinoxaline
SMILESCC1CCCc2nccnc21
InChIInChI=1S/C9H12N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h5-7H,2-4H2,1H3
InChIKeyJPKFXMPIYYDRJK-UHFFFAOYSA-N
XLogP1.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 5-methyl-5,6,7,8-tetrahydroquinoxaline (CID 21036679) is 5-methyl-5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 5-methyl-5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 5-methyl-5,6,7,8-tetrahydroquinoxaline is CC1CCCc2nccnc21.
What is the InChIKey of 5-methyl-5,6,7,8-tetrahydroquinoxaline?
The InChIKey is JPKFXMPIYYDRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h5-7H,2-4H2,1H3.
What are the key properties of 5-methyl-5,6,7,8-tetrahydroquinoxaline?
5-methyl-5,6,7,8-tetrahydroquinoxaline has a molecular weight of 148.21 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 21036679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).