2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline

C11H16N2 — CID 58823913

IUPAC2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline
SMILESC1CC2=NC3CCCCC3N=C2C1
InChIInChI=1S/C11H16N2/c1-2-5-9-8(4-1)12-10-6-3-7-11(10)13-9/h8-9H,1-7H2
InChIKeyCWZYZWBQRWZQAR-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.38
Rot. Bonds

About 2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline

2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline (PubChem CID 58823913) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline.

Molecular Properties

Compound Name2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline
PubChem CID58823913
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline
SMILESC1CC2=NC3CCCCC3N=C2C1
InChIInChI=1S/C11H16N2/c1-2-5-9-8(4-1)12-10-6-3-7-11(10)13-9/h8-9H,1-7H2
InChIKeyCWZYZWBQRWZQAR-UHFFFAOYSA-N
XLogP2.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline?
The IUPAC name of 2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline (CID 58823913) is 2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline.
What is the SMILES notation for 2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline?
The canonical SMILES for 2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline is C1CC2=NC3CCCCC3N=C2C1.
What is the InChIKey of 2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline?
The InChIKey is CWZYZWBQRWZQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-5-9-8(4-1)12-10-6-3-7-11(10)13-9/h8-9H,1-7H2.
What are the key properties of 2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline?
2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline has a molecular weight of 176.26 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinoxaline is sourced from PubChem (CID 58823913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).