8,8a-dihydroquinoline

C9H9N — CID 57104900

IUPAC8,8a-dihydroquinoline
SMILESC1=CCC2N=CC=CC2=C1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-5,7,9H,6H2
InChIKeyRFWDXKHEMMCYMM-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.88
Rot. Bonds

About 8,8a-dihydroquinoline

8,8a-dihydroquinoline (PubChem CID 57104900) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 8,8a-dihydroquinoline.

Molecular Properties

Compound Name8,8a-dihydroquinoline
PubChem CID57104900
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name8,8a-dihydroquinoline
SMILESC1=CCC2N=CC=CC2=C1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-5,7,9H,6H2
InChIKeyRFWDXKHEMMCYMM-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8,8a-dihydroquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,8a-dihydroquinoline?
The IUPAC name of 8,8a-dihydroquinoline (CID 57104900) is 8,8a-dihydroquinoline.
What is the SMILES notation for 8,8a-dihydroquinoline?
The canonical SMILES for 8,8a-dihydroquinoline is C1=CCC2N=CC=CC2=C1.
What is the InChIKey of 8,8a-dihydroquinoline?
The InChIKey is RFWDXKHEMMCYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-5,7,9H,6H2.
What are the key properties of 8,8a-dihydroquinoline?
8,8a-dihydroquinoline has a molecular weight of 131.18 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8a-dihydroquinoline is sourced from PubChem (CID 57104900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).