2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide

C10H15N2- — CID 102080398

IUPAC2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide
SMILESC=C1[N-]C2CCCCC2N=C1C
InChIInChI=1S/C10H15N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h9-10H,1,3-6H2,2H3/q-1
InChIKeyAWMUTCRZBLEZMM-UHFFFAOYSA-N
MW163.24 g/mol
LogP2.66
Rot. Bonds

About 2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide

2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide (PubChem CID 102080398) has the molecular formula C10H15N2- and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide.

Molecular Properties

Compound Name2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide
PubChem CID102080398
Molecular FormulaC10H15N2-
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Name2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide
SMILESC=C1[N-]C2CCCCC2N=C1C
InChIInChI=1S/C10H15N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h9-10H,1,3-6H2,2H3/q-1
InChIKeyAWMUTCRZBLEZMM-UHFFFAOYSA-N
XLogP2.66
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide?
The IUPAC name of 2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide (CID 102080398) is 2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide.
What is the SMILES notation for 2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide?
The canonical SMILES for 2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide is C=C1[N-]C2CCCCC2N=C1C.
What is the InChIKey of 2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide?
The InChIKey is AWMUTCRZBLEZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h9-10H,1,3-6H2,2H3/q-1.
What are the key properties of 2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide?
2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide has a molecular weight of 163.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ide is sourced from PubChem (CID 102080398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).