2,4a,5,8-tetrahydroquinoline

C9H11N — CID 90920243

IUPAC2,4a,5,8-tetrahydroquinoline
SMILESC1=CC2CC=CCC2=NC1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-3,5,8H,4,6-7H2
InChIKeyQXIDSVLPLAVLNT-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.96
Rot. Bonds

About 2,4a,5,8-tetrahydroquinoline

2,4a,5,8-tetrahydroquinoline (PubChem CID 90920243) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2,4a,5,8-tetrahydroquinoline.

Molecular Properties

Compound Name2,4a,5,8-tetrahydroquinoline
PubChem CID90920243
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2,4a,5,8-tetrahydroquinoline
SMILESC1=CC2CC=CCC2=NC1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-3,5,8H,4,6-7H2
InChIKeyQXIDSVLPLAVLNT-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
2-Ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline
CID 130413096
2,3,4,4a-Tetrahydroquinoline
CID 20394214
3,3a,4,7-tetrahydro-2H-indole
CID 54297230
1,2,9a,10a-Tetrahydroacridine
CID 54486130
6-Cyclopentyl-2,3-dihydropyridine
CID 54515633
3,3a,4,6a,9,9b-hexahydro-2H-benzo[de]quinoline
CID 56616023
1,2,6,7,10,10b-Hexahydrophenanthridine
CID 57068546
2,3,4,4a,5,8-Hexahydroquinoline
CID 57072516
5,6-Bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine
CID 57124859
4a,5,6,7-tetrahydro-2H-quinolin-8-imine
CID 57154891
2,3,5,8-Tetrahydroquinoline
CID 57204244

Frequently Asked Questions

What is the IUPAC name of 2,4a,5,8-tetrahydroquinoline?
The IUPAC name of 2,4a,5,8-tetrahydroquinoline (CID 90920243) is 2,4a,5,8-tetrahydroquinoline.
What is the SMILES notation for 2,4a,5,8-tetrahydroquinoline?
The canonical SMILES for 2,4a,5,8-tetrahydroquinoline is C1=CC2CC=CCC2=NC1.
What is the InChIKey of 2,4a,5,8-tetrahydroquinoline?
The InChIKey is QXIDSVLPLAVLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-3,5,8H,4,6-7H2.
What are the key properties of 2,4a,5,8-tetrahydroquinoline?
2,4a,5,8-tetrahydroquinoline has a molecular weight of 133.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4a,5,8-tetrahydroquinoline is sourced from PubChem (CID 90920243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).