2,3-dihydroquinoline

C9H9N — CID 22027752

IUPAC2,3-dihydroquinoline
SMILESC1=c2ccccc2=NCC1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4-6H,3,7H2
InChIKeyALDYFKCYVAOMJY-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.49
Rot. Bonds

About 2,3-dihydroquinoline

2,3-dihydroquinoline (PubChem CID 22027752) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 2,3-dihydroquinoline.

Molecular Properties

Compound Name2,3-dihydroquinoline
PubChem CID22027752
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name2,3-dihydroquinoline
SMILESC1=c2ccccc2=NCC1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4-6H,3,7H2
InChIKeyALDYFKCYVAOMJY-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8aH-carbazole
CID 9548747
Quinoline-3-thione
CID 13507522
(6Z,12Z)-benzo[c][1,5]benzodiazocine
CID 15960347
(1Z)-1-Benzazocine
CID 17846319
2H-Indole
CID 19013146
2,3-Dihydro-quinoxaline
CID 21885942
Dibenz[b,f]azocine
CID 23633137
2,3,5,6,7,8-Hexahydroquinoline
CID 53628232
2-methyl-2H-indole
CID 58371059
4-Methyl-2,3-dihydroquinoline
CID 68274032
4a,9a-Dihydroacridine
CID 89376300
4,6-Dihydroquinoline
CID 129722681

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroquinoline?
The IUPAC name of 2,3-dihydroquinoline (CID 22027752) is 2,3-dihydroquinoline.
What is the SMILES notation for 2,3-dihydroquinoline?
The canonical SMILES for 2,3-dihydroquinoline is C1=c2ccccc2=NCC1.
What is the InChIKey of 2,3-dihydroquinoline?
The InChIKey is ALDYFKCYVAOMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4-6H,3,7H2.
What are the key properties of 2,3-dihydroquinoline?
2,3-dihydroquinoline has a molecular weight of 131.18 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroquinoline is sourced from PubChem (CID 22027752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).