(8aS)-1,4,4a,8a-tetrahydroquinoline

C9H11N — CID 90961367

IUPAC(8aS)-1,4,4a,8a-tetrahydroquinoline
SMILESC1=CC2CC=CN[C@H]2C=C1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-4,6-10H,5H2/t8?,9-/m0/s1
InChIKeyZLJXYGYKGPYXFC-GKAPJAKFSA-N
MW133.19 g/mol
LogP1.60
Rot. Bonds

About (8aS)-1,4,4a,8a-tetrahydroquinoline

(8aS)-1,4,4a,8a-tetrahydroquinoline (PubChem CID 90961367) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (8aS)-1,4,4a,8a-tetrahydroquinoline.

Molecular Properties

Compound Name(8aS)-1,4,4a,8a-tetrahydroquinoline
PubChem CID90961367
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(8aS)-1,4,4a,8a-tetrahydroquinoline
SMILESC1=CC2CC=CN[C@H]2C=C1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-4,6-10H,5H2/t8?,9-/m0/s1
InChIKeyZLJXYGYKGPYXFC-GKAPJAKFSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8aS)-1,4,4a,8a-tetrahydroquinoline?
The IUPAC name of (8aS)-1,4,4a,8a-tetrahydroquinoline (CID 90961367) is (8aS)-1,4,4a,8a-tetrahydroquinoline.
What is the SMILES notation for (8aS)-1,4,4a,8a-tetrahydroquinoline?
The canonical SMILES for (8aS)-1,4,4a,8a-tetrahydroquinoline is C1=CC2CC=CN[C@H]2C=C1.
What is the InChIKey of (8aS)-1,4,4a,8a-tetrahydroquinoline?
The InChIKey is ZLJXYGYKGPYXFC-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-4,6-10H,5H2/t8?,9-/m0/s1.
What are the key properties of (8aS)-1,4,4a,8a-tetrahydroquinoline?
(8aS)-1,4,4a,8a-tetrahydroquinoline has a molecular weight of 133.19 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-1,4,4a,8a-tetrahydroquinoline is sourced from PubChem (CID 90961367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).