3,7,8,8a-tetrahydroquinoline

C9H11N — CID 57279747

IUPAC3,7,8,8a-tetrahydroquinoline
SMILESC1=CC2=CCC=NC2CC1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1,4-5,7,9H,2-3,6H2
InChIKeyILIJRQSGFXVDJB-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.11
Rot. Bonds

About 3,7,8,8a-tetrahydroquinoline

3,7,8,8a-tetrahydroquinoline (PubChem CID 57279747) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 3,7,8,8a-tetrahydroquinoline.

Molecular Properties

Compound Name3,7,8,8a-tetrahydroquinoline
PubChem CID57279747
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name3,7,8,8a-tetrahydroquinoline
SMILESC1=CC2=CCC=NC2CC1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1,4-5,7,9H,2-3,6H2
InChIKeyILIJRQSGFXVDJB-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 3,7,8,8a-tetrahydroquinoline with MolForge

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

Launch Full Analysis

Related Compounds

Tetrahydroquinoline
CID 94356
1,5-Dihydroisoquinoline
CID 91129745
3,4,5,6-Tetrahydroquinoline
CID 54214651
Diethylideneaniline
CID 70417807
3,5,6,8a-Tetrahydroquinoline
CID 90716025
Bis-propylideneaniline
CID 129791915
(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
2,8-Dihydroquinoline
CID 53423727
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
2-Methyl-3,5,8,8a-tetrahydroquinoline
CID 53954316
3-Ethyl-3,5,8,8a-tetrahydroquinoline
CID 53980454
8-Azatricyclo[10.4.0.02,7]hexadeca-3,5,8,11,13,15-hexaene
CID 54068551

Frequently Asked Questions

What is the IUPAC name of 3,7,8,8a-tetrahydroquinoline?
The IUPAC name of 3,7,8,8a-tetrahydroquinoline (CID 57279747) is 3,7,8,8a-tetrahydroquinoline.
What is the SMILES notation for 3,7,8,8a-tetrahydroquinoline?
The canonical SMILES for 3,7,8,8a-tetrahydroquinoline is C1=CC2=CCC=NC2CC1.
What is the InChIKey of 3,7,8,8a-tetrahydroquinoline?
The InChIKey is ILIJRQSGFXVDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1,4-5,7,9H,2-3,6H2.
What are the key properties of 3,7,8,8a-tetrahydroquinoline?
3,7,8,8a-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 3,7,8,8a-tetrahydroquinoline is sourced from PubChem (CID 57279747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).