6,7,8,8a-tetrahydroquinoline

C9H11N — CID 57281165

IUPAC6,7,8,8a-tetrahydroquinoline
SMILESC1=CC2=CCCCC2N=C1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3-5,7,9H,1-2,6H2
InChIKeyIYPWWGSTDLOZRE-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.11
Rot. Bonds

About 6,7,8,8a-tetrahydroquinoline

6,7,8,8a-tetrahydroquinoline (PubChem CID 57281165) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 6,7,8,8a-tetrahydroquinoline.

Molecular Properties

Compound Name6,7,8,8a-tetrahydroquinoline
PubChem CID57281165
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name6,7,8,8a-tetrahydroquinoline
SMILESC1=CC2=CCCCC2N=C1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3-5,7,9H,1-2,6H2
InChIKeyIYPWWGSTDLOZRE-UHFFFAOYSA-N
XLogP2.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6,7,8,8a-tetrahydroquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7,8,8a-tetrahydroquinoline?
The IUPAC name of 6,7,8,8a-tetrahydroquinoline (CID 57281165) is 6,7,8,8a-tetrahydroquinoline.
What is the SMILES notation for 6,7,8,8a-tetrahydroquinoline?
The canonical SMILES for 6,7,8,8a-tetrahydroquinoline is C1=CC2=CCCCC2N=C1.
What is the InChIKey of 6,7,8,8a-tetrahydroquinoline?
The InChIKey is IYPWWGSTDLOZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3-5,7,9H,1-2,6H2.
What are the key properties of 6,7,8,8a-tetrahydroquinoline?
6,7,8,8a-tetrahydroquinoline has a molecular weight of 133.19 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,8a-tetrahydroquinoline is sourced from PubChem (CID 57281165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).