1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline

C11H14N2 — CID 13413786

IUPAC1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
SMILESc1ccc2c(c1)NCC1CCCN21
InChIInChI=1S/C11H14N2/c1-2-6-11-10(5-1)12-8-9-4-3-7-13(9)11/h1-2,5-6,9,12H,3-4,7-8H2
InChIKeyIZAIOGMVPVWOKY-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.08
Rot. Bonds

About 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline

1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline (PubChem CID 13413786) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
PubChem CID13413786
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
SMILESc1ccc2c(c1)NCC1CCCN21
InChIInChI=1S/C11H14N2/c1-2-6-11-10(5-1)12-8-9-4-3-7-13(9)11/h1-2,5-6,9,12H,3-4,7-8H2
InChIKeyIZAIOGMVPVWOKY-UHFFFAOYSA-N
XLogP2.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]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 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The IUPAC name of 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline (CID 13413786) is 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline is c1ccc2c(c1)NCC1CCCN21.
What is the InChIKey of 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The InChIKey is IZAIOGMVPVWOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-6-11-10(5-1)12-8-9-4-3-7-13(9)11/h1-2,5-6,9,12H,3-4,7-8H2.
What are the key properties of 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline has a molecular weight of 174.25 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 13413786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).