5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline

C9H14N2 — CID 167289100

IUPAC5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline
SMILESCC1CCCC2NC=CN=C12
InChIInChI=1S/C9H14N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h5-8,10H,2-4H2,1H3
InChIKeyVMOQLZGMVBYVPN-UHFFFAOYSA-N
MW150.23 g/mol
LogP1.69
Rot. Bonds

About 5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline

5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline (PubChem CID 167289100) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline.

Molecular Properties

Compound Name5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline
PubChem CID167289100
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline
SMILESCC1CCCC2NC=CN=C12
InChIInChI=1S/C9H14N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h5-8,10H,2-4H2,1H3
InChIKeyVMOQLZGMVBYVPN-UHFFFAOYSA-N
XLogP1.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline?
The IUPAC name of 5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline (CID 167289100) is 5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline.
What is the SMILES notation for 5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline?
The canonical SMILES for 5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline is CC1CCCC2NC=CN=C12.
What is the InChIKey of 5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline?
The InChIKey is VMOQLZGMVBYVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h5-8,10H,2-4H2,1H3.
What are the key properties of 5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline?
5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline has a molecular weight of 150.23 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,5,6,7,8,8a-hexahydroquinoxaline is sourced from PubChem (CID 167289100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).