3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline

C11H12N2 — CID 57043520

IUPAC3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline
SMILESC1=CC2=CCC3NCCN=C3C2=C1
InChIInChI=1S/C11H12N2/c1-2-8-4-5-10-11(9(8)3-1)13-7-6-12-10/h1-4,10,12H,5-7H2
InChIKeyHRILULNKJZEOCX-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.23
Rot. Bonds

About 3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline

3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline (PubChem CID 57043520) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline.

Molecular Properties

Compound Name3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline
PubChem CID57043520
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline
SMILESC1=CC2=CCC3NCCN=C3C2=C1
InChIInChI=1S/C11H12N2/c1-2-8-4-5-10-11(9(8)3-1)13-7-6-12-10/h1-4,10,12H,5-7H2
InChIKeyHRILULNKJZEOCX-UHFFFAOYSA-N
XLogP1.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tetrahydro-1h-pyrido[4,3-b]indole
CID 56981217
Hexahydroazepino[4,3-b]indole
CID 66873478
1,2,3,7,8,8a-Hexahydroquinoxaline
CID 91202052
N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 68606008
Dihydrocyclopentaquinoxaline
CID 129785985
Hexahydro-1h-azocino[4,3-b]indole
CID 129891720
2,3,4,6-tetrahydro-1H-pyrido[3,4-b]indole
CID 22132283
1,2,3,5,8,8a-Hexahydroquinoxaline
CID 57107857
2,3,6,9a-tetrahydro-1H-pyrido[3,4-b]indole
CID 57125637
1,2,3,4,5,5a-Hexahydroazepino[4,5-b]indole
CID 66641490
1,2,3,4,5,5a-Hexahydroazepino[4,5-b]indole;hydrochloride
CID 69701725
2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine
CID 118561762

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline?
The IUPAC name of 3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline (CID 57043520) is 3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline.
What is the SMILES notation for 3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline?
The canonical SMILES for 3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline is C1=CC2=CCC3NCCN=C3C2=C1.
What is the InChIKey of 3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline?
The InChIKey is HRILULNKJZEOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-8-4-5-10-11(9(8)3-1)13-7-6-12-10/h1-4,10,12H,5-7H2.
What are the key properties of 3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline?
3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline has a molecular weight of 172.23 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5-tetrahydro-2H-cyclopenta[f]quinoxaline is sourced from PubChem (CID 57043520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).