2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline

C11H16N2 — CID 54330595

IUPAC2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline
SMILESC1=CC2C=CC3NCCNC3C2C1
InChIInChI=1S/C11H16N2/c1-2-8-4-5-10-11(9(8)3-1)13-7-6-12-10/h1-2,4-5,8-13H,3,6-7H2
InChIKeyREODFAMTMBRSJE-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.68
Rot. Bonds

About 2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline

2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline (PubChem CID 54330595) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline.

Molecular Properties

Compound Name2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline
PubChem CID54330595
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline
SMILESC1=CC2C=CC3NCCNC3C2C1
InChIInChI=1S/C11H16N2/c1-2-8-4-5-10-11(9(8)3-1)13-7-6-12-10/h1-2,4-5,8-13H,3,6-7H2
InChIKeyREODFAMTMBRSJE-UHFFFAOYSA-N
XLogP0.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline with MolForge

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Launch Full Analysis

Related Compounds

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(4aS,8aS)-1,2,3,4,4a,5,8,8a-octahydroquinoline
CID 10582843
(4aS,8aR)-1,2,3,4,4a,5,8,8a-octahydroquinoline
CID 10844439
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CID 11344049
(4aR,8aS)-1,2,3,4,4a,5,8,8a-octahydroquinoline
CID 15409048
(4aR,8aR)-1,2,3,4,4a,5,8,8a-octahydroquinoline
CID 15409049
1,2,3,4,4a,5,6,8a-Octahydroquinoline
CID 18924436
3a,5,6,7,8,8a,9,9a-octahydro-1H-pyrrolo[2,3-g]isoquinoline
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1,2,2a,3,5a,6,8a,9-Octahydrobenzo[cd]indole
CID 19069129
1,3a,4,5,5a,6,7,9a-Octahydropyrrolo[1,2-a]quinoxaline
CID 20461895
3-Methyl-1,2,3,4,4a,5,6,8a-octahydroisoquinoline
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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline?
The IUPAC name of 2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline (CID 54330595) is 2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline.
What is the SMILES notation for 2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline?
The canonical SMILES for 2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline is C1=CC2C=CC3NCCNC3C2C1.
What is the InChIKey of 2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline?
The InChIKey is REODFAMTMBRSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-8-4-5-10-11(9(8)3-1)13-7-6-12-10/h1-2,4-5,8-13H,3,6-7H2.
What are the key properties of 2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline?
2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline has a molecular weight of 176.26 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline is sourced from PubChem (CID 54330595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).