2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline

C11H16N2O — CID 70163432

IUPAC2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline
SMILESC1=C2CCCOC2=C2NCCNC2C1
InChIInChI=1S/C11H16N2O/c1-2-8-3-4-9-10(11(8)14-7-1)13-6-5-12-9/h3,9,12-13H,1-2,4-7H2
InChIKeyNYZFPUGZWUVEAA-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.90
Rot. Bonds

About 2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline

2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline (PubChem CID 70163432) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline.

Molecular Properties

Compound Name2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline
PubChem CID70163432
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline
SMILESC1=C2CCCOC2=C2NCCNC2C1
InChIInChI=1S/C11H16N2O/c1-2-8-3-4-9-10(11(8)14-7-1)13-6-5-12-9/h3,9,12-13H,1-2,4-7H2
InChIKeyNYZFPUGZWUVEAA-UHFFFAOYSA-N
XLogP0.90
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline?
The IUPAC name of 2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline (CID 70163432) is 2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline.
What is the SMILES notation for 2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline?
The canonical SMILES for 2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline is C1=C2CCCOC2=C2NCCNC2C1.
What is the InChIKey of 2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline?
The InChIKey is NYZFPUGZWUVEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-8-3-4-9-10(11(8)14-7-1)13-6-5-12-9/h3,9,12-13H,1-2,4-7H2.
What are the key properties of 2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline?
2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline has a molecular weight of 192.26 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,7,8,9-octahydro-1H-pyrano[2,3-f]quinoxaline is sourced from PubChem (CID 70163432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).