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

C9H12N2 — CID 123555398

IUPAC2-methyl-1,2,4a,8a-tetrahydroquinoxaline
SMILESCC1C=NC2C=CC=CC2N1
InChIInChI=1S/C9H12N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-9,11H,1H3
InChIKeyBEUYAEMHFUMNGN-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.91
Rot. Bonds

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

2-methyl-1,2,4a,8a-tetrahydroquinoxaline (PubChem CID 123555398) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-methyl-1,2,4a,8a-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-methyl-1,2,4a,8a-tetrahydroquinoxaline
PubChem CID123555398
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-methyl-1,2,4a,8a-tetrahydroquinoxaline
SMILESCC1C=NC2C=CC=CC2N1
InChIInChI=1S/C9H12N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-9,11H,1H3
InChIKeyBEUYAEMHFUMNGN-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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Related Compounds

1,2,4a,5-Tetrahydroquinoxaline
CID 22174869
2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline
CID 54508354
1,2,4a,8a-Tetrahydroquinoxaline
CID 88984339
2,3,5a,9a-tetrahydro-1H-1,5-benzodiazepine
CID 90804015
2,3,5a,9a-tetrahydro-1H-1,4-benzodiazepine
CID 90980838
1,2,8,8a-Tetrahydro-1,6-naphthyridine
CID 91065138
1,2,6,8a-Tetrahydro-1,7-naphthyridine
CID 91151447
(8aS)-1,2,4a,8a-tetrahydroquinoxaline
CID 91805170
6,7,8,8a-Tetrahydro-1,7-naphthyridine
CID 123937552
N-ethyl-6-(methylideneamino)cyclohexa-2,4-dien-1-amine
CID 134288715
3-Methyl-1,2,4a,8a-tetrahydroquinoxaline
CID 134316351
1,2,3,8a-Tetrahydroquinoxaline;ethane
CID 141799549

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,4a,8a-tetrahydroquinoxaline?
The IUPAC name of 2-methyl-1,2,4a,8a-tetrahydroquinoxaline (CID 123555398) is 2-methyl-1,2,4a,8a-tetrahydroquinoxaline.
What is the SMILES notation for 2-methyl-1,2,4a,8a-tetrahydroquinoxaline?
The canonical SMILES for 2-methyl-1,2,4a,8a-tetrahydroquinoxaline is CC1C=NC2C=CC=CC2N1.
What is the InChIKey of 2-methyl-1,2,4a,8a-tetrahydroquinoxaline?
The InChIKey is BEUYAEMHFUMNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-9,11H,1H3.
What are the key properties of 2-methyl-1,2,4a,8a-tetrahydroquinoxaline?
2-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 2-methyl-1,2,4a,8a-tetrahydroquinoxaline is sourced from PubChem (CID 123555398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).