2H-cyclopenta[b]quinoxaline

C11H8N2 — CID 45121707

IUPAC2H-cyclopenta[b]quinoxaline
SMILESC1=c2nc3ccccc3nc2=CC1
InChIInChI=1S/C11H8N2/c1-2-5-9-8(4-1)12-10-6-3-7-11(10)13-9/h1-2,4-7H,3H2
InChIKeyLASJUROBSVVXIQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.59
Rot. Bonds

About 2H-cyclopenta[b]quinoxaline

2H-cyclopenta[b]quinoxaline (PubChem CID 45121707) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2H-cyclopenta[b]quinoxaline.

Molecular Properties

Compound Name2H-cyclopenta[b]quinoxaline
PubChem CID45121707
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name2H-cyclopenta[b]quinoxaline
SMILESC1=c2nc3ccccc3nc2=CC1
InChIInChI=1S/C11H8N2/c1-2-5-9-8(4-1)12-10-6-3-7-11(10)13-9/h1-2,4-7H,3H2
InChIKeyLASJUROBSVVXIQ-UHFFFAOYSA-N
XLogP0.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-cyclopenta[b]quinoxaline?
The IUPAC name of 2H-cyclopenta[b]quinoxaline (CID 45121707) is 2H-cyclopenta[b]quinoxaline.
What is the SMILES notation for 2H-cyclopenta[b]quinoxaline?
The canonical SMILES for 2H-cyclopenta[b]quinoxaline is C1=c2nc3ccccc3nc2=CC1.
What is the InChIKey of 2H-cyclopenta[b]quinoxaline?
The InChIKey is LASJUROBSVVXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-2-5-9-8(4-1)12-10-6-3-7-11(10)13-9/h1-2,4-7H,3H2.
What are the key properties of 2H-cyclopenta[b]quinoxaline?
2H-cyclopenta[b]quinoxaline has a molecular weight of 168.20 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclopenta[b]quinoxaline is sourced from PubChem (CID 45121707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).