3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline

C10H16N2 — CID 102080399

IUPAC3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline
SMILESC=C1NC2CCCCC2N=C1C
InChIInChI=1S/C10H16N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h9-11H,1,3-6H2,2H3
InChIKeyVDIHJCGBMKTKKN-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.88
Rot. Bonds

About 3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline

3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline (PubChem CID 102080399) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline.

Molecular Properties

Compound Name3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline
PubChem CID102080399
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline
SMILESC=C1NC2CCCCC2N=C1C
InChIInChI=1S/C10H16N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h9-11H,1,3-6H2,2H3
InChIKeyVDIHJCGBMKTKKN-UHFFFAOYSA-N
XLogP1.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5aR,9aR)-2,4-dimethyl-5a,6,7,8,9,9a-hexahydro-1H-1,5-benzodiazepine
CID 102439079
(4aR,10aR)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine
CID 11513902
(4aR,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine
CID 11694052
2,4-dimethyl-5a,6,7,8,9,9a-hexahydro-1H-1,5-benzodiazepine
CID 12462159
2-Methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide
CID 102080398
(4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine
CID 102349835
(4aS,10aR)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine
CID 131097146

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline?
The IUPAC name of 3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline (CID 102080399) is 3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline.
What is the SMILES notation for 3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline?
The canonical SMILES for 3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline is C=C1NC2CCCCC2N=C1C.
What is the InChIKey of 3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline?
The InChIKey is VDIHJCGBMKTKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h9-11H,1,3-6H2,2H3.
What are the key properties of 3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline?
3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline has a molecular weight of 164.25 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline is sourced from PubChem (CID 102080399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).