5,6,7,8-tetrahydro-4aH-quinoline

C9H11N — CID 152782340

IUPAC5,6,7,8-tetrahydro-4aH-quinoline
SMILESC1=CN=C2CCCCC2C=1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h5,7-8H,1-2,4,6H2
InChIKeyOHDFMKJBEGMPCT-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.30
Rot. Bonds

About 5,6,7,8-tetrahydro-4aH-quinoline

5,6,7,8-tetrahydro-4aH-quinoline (PubChem CID 152782340) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4aH-quinoline.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4aH-quinoline
PubChem CID152782340
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name5,6,7,8-tetrahydro-4aH-quinoline
SMILESC1=CN=C2CCCCC2C=1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h5,7-8H,1-2,4,6H2
InChIKeyOHDFMKJBEGMPCT-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,6,7-tetrahydro-3aH-indole
CID 20614425
6-Ethenyl-2,3,5,6,7,8-hexahydroquinoxaline
CID 90820488
4,4a,5,6,7,8-Hexahydroquinoline
CID 126714288
(4aS)-4,4a,7,8-tetrahydroquinoline
CID 129253875
2-Butan-2-yl-3,4-dihydropyridine
CID 144727437
2-Cyclohexylazete
CID 169224411
2-ethenyl-N-[(Z)-prop-1-enyl]cyclohexan-1-imine
CID 169604577
1-cyclohexyl-N-ethenylbut-3-en-2-imine
CID 144801074

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4aH-quinoline?
The IUPAC name of 5,6,7,8-tetrahydro-4aH-quinoline (CID 152782340) is 5,6,7,8-tetrahydro-4aH-quinoline.
What is the SMILES notation for 5,6,7,8-tetrahydro-4aH-quinoline?
The canonical SMILES for 5,6,7,8-tetrahydro-4aH-quinoline is C1=CN=C2CCCCC2C=1.
What is the InChIKey of 5,6,7,8-tetrahydro-4aH-quinoline?
The InChIKey is OHDFMKJBEGMPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h5,7-8H,1-2,4,6H2.
What are the key properties of 5,6,7,8-tetrahydro-4aH-quinoline?
5,6,7,8-tetrahydro-4aH-quinoline has a molecular weight of 133.19 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4aH-quinoline is sourced from PubChem (CID 152782340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).