3,8a-dihydroquinoline

C9H9N — CID 90751796

IUPAC3,8a-dihydroquinoline
SMILESC1=CC2=CCC=NC2C=C1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4-7,9H,3H2
InChIKeyFLBQNCHOXNLKLN-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.88
Rot. Bonds

About 3,8a-dihydroquinoline

3,8a-dihydroquinoline (PubChem CID 90751796) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 3,8a-dihydroquinoline.

Molecular Properties

Compound Name3,8a-dihydroquinoline
PubChem CID90751796
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name3,8a-dihydroquinoline
SMILESC1=CC2=CCC=NC2C=C1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4-7,9H,3H2
InChIKeyFLBQNCHOXNLKLN-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

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Related Compounds

Tetrahydroquinoline
CID 94356
1,5-Dihydroisoquinoline
CID 91129745
8aH-carbazole
CID 9548747
7aH-indole
CID 20614426
3h-Quinoline
CID 22027752
3,4,5,6-Tetrahydroquinoline
CID 54214651
6h,7h-Quinoline
CID 67835501
Diethylideneaniline
CID 70417807
4a,9a-Dihydroacridine
CID 89376300
3,5,6,8a-Tetrahydroquinoline
CID 90716025
Bis-propylideneaniline
CID 129791915
1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine
CID 71070191

Frequently Asked Questions

What is the IUPAC name of 3,8a-dihydroquinoline?
The IUPAC name of 3,8a-dihydroquinoline (CID 90751796) is 3,8a-dihydroquinoline.
What is the SMILES notation for 3,8a-dihydroquinoline?
The canonical SMILES for 3,8a-dihydroquinoline is C1=CC2=CCC=NC2C=C1.
What is the InChIKey of 3,8a-dihydroquinoline?
The InChIKey is FLBQNCHOXNLKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4-7,9H,3H2.
What are the key properties of 3,8a-dihydroquinoline?
3,8a-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 3,8a-dihydroquinoline is sourced from PubChem (CID 90751796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).