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

C9H12N2 — CID 129059843

IUPAC3-methyl-1,2,7,8-tetrahydroquinoxaline
SMILESCC1=NC2=C(CCC=C2)NC1
InChIInChI=1S/C9H12N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h3,5,10H,2,4,6H2,1H3
InChIKeyVNOBDOAIGHNHCE-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.61
Rot. Bonds

About 3-methyl-1,2,7,8-tetrahydroquinoxaline

3-methyl-1,2,7,8-tetrahydroquinoxaline (PubChem CID 129059843) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-methyl-1,2,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name3-methyl-1,2,7,8-tetrahydroquinoxaline
PubChem CID129059843
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3-methyl-1,2,7,8-tetrahydroquinoxaline
SMILESCC1=NC2=C(CCC=C2)NC1
InChIInChI=1S/C9H12N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h3,5,10H,2,4,6H2,1H3
InChIKeyVNOBDOAIGHNHCE-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,7,8-tetrahydroquinoxaline?
The IUPAC name of 3-methyl-1,2,7,8-tetrahydroquinoxaline (CID 129059843) is 3-methyl-1,2,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 3-methyl-1,2,7,8-tetrahydroquinoxaline?
The canonical SMILES for 3-methyl-1,2,7,8-tetrahydroquinoxaline is CC1=NC2=C(CCC=C2)NC1.
What is the InChIKey of 3-methyl-1,2,7,8-tetrahydroquinoxaline?
The InChIKey is VNOBDOAIGHNHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h3,5,10H,2,4,6H2,1H3.
What are the key properties of 3-methyl-1,2,7,8-tetrahydroquinoxaline?
3-methyl-1,2,7,8-tetrahydroquinoxaline has a molecular weight of 148.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 129059843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).