3-methyl-1,2,4a,8a-tetrahydroquinoxaline

C9H12N2 — CID 134316351

IUPAC3-methyl-1,2,4a,8a-tetrahydroquinoxaline
SMILESCC1=NC2C=CC=CC2NC1
InChIInChI=1S/C9H12N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-5,8-10H,6H2,1H3
InChIKeyOCXWOJCVKDZKHD-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.91
Rot. Bonds

About 3-methyl-1,2,4a,8a-tetrahydroquinoxaline

3-methyl-1,2,4a,8a-tetrahydroquinoxaline (PubChem CID 134316351) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-methyl-1,2,4a,8a-tetrahydroquinoxaline.

Molecular Properties

Compound Name3-methyl-1,2,4a,8a-tetrahydroquinoxaline
PubChem CID134316351
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3-methyl-1,2,4a,8a-tetrahydroquinoxaline
SMILESCC1=NC2C=CC=CC2NC1
InChIInChI=1S/C9H12N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-5,8-10H,6H2,1H3
InChIKeyOCXWOJCVKDZKHD-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,4a,8a-tetrahydroquinoxaline?
The IUPAC name of 3-methyl-1,2,4a,8a-tetrahydroquinoxaline (CID 134316351) is 3-methyl-1,2,4a,8a-tetrahydroquinoxaline.
What is the SMILES notation for 3-methyl-1,2,4a,8a-tetrahydroquinoxaline?
The canonical SMILES for 3-methyl-1,2,4a,8a-tetrahydroquinoxaline is CC1=NC2C=CC=CC2NC1.
What is the InChIKey of 3-methyl-1,2,4a,8a-tetrahydroquinoxaline?
The InChIKey is OCXWOJCVKDZKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-5,8-10H,6H2,1H3.
What are the key properties of 3-methyl-1,2,4a,8a-tetrahydroquinoxaline?
3-methyl-1,2,4a,8a-tetrahydroquinoxaline has a molecular weight of 148.21 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,4a,8a-tetrahydroquinoxaline is sourced from PubChem (CID 134316351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).