1,5,8,8a-tetrahydroquinoline

C9H11N — CID 18504448

IUPAC1,5,8,8a-tetrahydroquinoline
SMILESC1=CNC2CC=CCC2=C1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-3,5,7,9-10H,4,6H2
InChIKeyZLEVGJGWQQNLRM-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.75
Rot. Bonds

About 1,5,8,8a-tetrahydroquinoline

1,5,8,8a-tetrahydroquinoline (PubChem CID 18504448) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 1,5,8,8a-tetrahydroquinoline.

Molecular Properties

Compound Name1,5,8,8a-tetrahydroquinoline
PubChem CID18504448
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name1,5,8,8a-tetrahydroquinoline
SMILESC1=CNC2CC=CCC2=C1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-3,5,7,9-10H,4,6H2
InChIKeyZLEVGJGWQQNLRM-UHFFFAOYSA-N
XLogP1.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5,8,8a-tetrahydroquinoline?
The IUPAC name of 1,5,8,8a-tetrahydroquinoline (CID 18504448) is 1,5,8,8a-tetrahydroquinoline.
What is the SMILES notation for 1,5,8,8a-tetrahydroquinoline?
The canonical SMILES for 1,5,8,8a-tetrahydroquinoline is C1=CNC2CC=CCC2=C1.
What is the InChIKey of 1,5,8,8a-tetrahydroquinoline?
The InChIKey is ZLEVGJGWQQNLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-3,5,7,9-10H,4,6H2.
What are the key properties of 1,5,8,8a-tetrahydroquinoline?
1,5,8,8a-tetrahydroquinoline has a molecular weight of 133.19 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8,8a-tetrahydroquinoline is sourced from PubChem (CID 18504448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).