(4aR)-4a,8a-dihydroquinoline

C9H9N — CID 122662942

IUPAC(4aR)-4a,8a-dihydroquinoline
SMILESC1=CC2N=CC=C[C@H]2C=C1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-9H/t8-,9?/m1/s1
InChIKeyZBZFKTNCVZLDOT-VEDVMXKPSA-N
MW131.18 g/mol
LogP1.74
Rot. Bonds

About (4aR)-4a,8a-dihydroquinoline

(4aR)-4a,8a-dihydroquinoline (PubChem CID 122662942) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is (4aR)-4a,8a-dihydroquinoline.

Molecular Properties

Compound Name(4aR)-4a,8a-dihydroquinoline
PubChem CID122662942
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name(4aR)-4a,8a-dihydroquinoline
SMILESC1=CC2N=CC=C[C@H]2C=C1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-9H/t8-,9?/m1/s1
InChIKeyZBZFKTNCVZLDOT-VEDVMXKPSA-N
XLogP1.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aR)-4a,8a-dihydroquinoline?
The IUPAC name of (4aR)-4a,8a-dihydroquinoline (CID 122662942) is (4aR)-4a,8a-dihydroquinoline.
What is the SMILES notation for (4aR)-4a,8a-dihydroquinoline?
The canonical SMILES for (4aR)-4a,8a-dihydroquinoline is C1=CC2N=CC=C[C@H]2C=C1.
What is the InChIKey of (4aR)-4a,8a-dihydroquinoline?
The InChIKey is ZBZFKTNCVZLDOT-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-9H/t8-,9?/m1/s1.
What are the key properties of (4aR)-4a,8a-dihydroquinoline?
(4aR)-4a,8a-dihydroquinoline has a molecular weight of 131.18 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-4a,8a-dihydroquinoline is sourced from PubChem (CID 122662942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).