1-propan-2-yl-4a,5-dihydro-2H-quinoxaline

C11H16N2 — CID 175936921

IUPAC1-propan-2-yl-4a,5-dihydro-2H-quinoxaline
SMILESCC(C)N1CC=NC2CC=CC=C21
InChIInChI=1S/C11H16N2/c1-9(2)13-8-7-12-10-5-3-4-6-11(10)13/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyLOUOZWMEGLBUPS-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.99
Rot. Bonds1

About 1-propan-2-yl-4a,5-dihydro-2H-quinoxaline

1-propan-2-yl-4a,5-dihydro-2H-quinoxaline (PubChem CID 175936921) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-propan-2-yl-4a,5-dihydro-2H-quinoxaline.

Molecular Properties

Compound Name1-propan-2-yl-4a,5-dihydro-2H-quinoxaline
PubChem CID175936921
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-propan-2-yl-4a,5-dihydro-2H-quinoxaline
SMILESCC(C)N1CC=NC2CC=CC=C21
InChIInChI=1S/C11H16N2/c1-9(2)13-8-7-12-10-5-3-4-6-11(10)13/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyLOUOZWMEGLBUPS-UHFFFAOYSA-N
XLogP1.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-propan-2-yl-4a,5-dihydro-2H-quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4a,5-dihydro-2H-quinoxaline?
The IUPAC name of 1-propan-2-yl-4a,5-dihydro-2H-quinoxaline (CID 175936921) is 1-propan-2-yl-4a,5-dihydro-2H-quinoxaline.
What is the SMILES notation for 1-propan-2-yl-4a,5-dihydro-2H-quinoxaline?
The canonical SMILES for 1-propan-2-yl-4a,5-dihydro-2H-quinoxaline is CC(C)N1CC=NC2CC=CC=C21.
What is the InChIKey of 1-propan-2-yl-4a,5-dihydro-2H-quinoxaline?
The InChIKey is LOUOZWMEGLBUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(2)13-8-7-12-10-5-3-4-6-11(10)13/h3-4,6-7,9-10H,5,8H2,1-2H3.
What are the key properties of 1-propan-2-yl-4a,5-dihydro-2H-quinoxaline?
1-propan-2-yl-4a,5-dihydro-2H-quinoxaline has a molecular weight of 176.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4a,5-dihydro-2H-quinoxaline is sourced from PubChem (CID 175936921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).