3,5-dihydroquinoline

C9H9N — CID 174813599

IUPAC3,5-dihydroquinoline
SMILESC1=CCC2=CCC=NC2=C1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,5-7H,3-4H2
InChIKeyKYZDIGYNDXHWOB-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.23
Rot. Bonds

About 3,5-dihydroquinoline

3,5-dihydroquinoline (PubChem CID 174813599) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 3,5-dihydroquinoline.

Molecular Properties

Compound Name3,5-dihydroquinoline
PubChem CID174813599
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name3,5-dihydroquinoline
SMILESC1=CCC2=CCC=NC2=C1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,5-7H,3-4H2
InChIKeyKYZDIGYNDXHWOB-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;7-pyridin-4-yl-3H-azepine
CID 143157726
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
ethane;7-thiophen-3-yl-3H-azepine
CID 143157760
3,5,6,7-tetrahydroquinoline
CID 150974486
lithium;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hydride
CID 173293173
tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
CID 174520599
7-(oxepin-2-yl)-3H-azepine
CID 91390768
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol
CID 174485251
2,4-dihydroazulene
CID 21189020
2-(3H-azepin-7-yl)ethanamine
CID 54217416
chloro-tri(cyclopenta-1,3-dien-1-yl)silane
CID 18958364
1,6-dimethylcycloocta-1,3,6-triene
CID 123605160

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroquinoline?
The IUPAC name of 3,5-dihydroquinoline (CID 174813599) is 3,5-dihydroquinoline.
What is the SMILES notation for 3,5-dihydroquinoline?
The canonical SMILES for 3,5-dihydroquinoline is C1=CCC2=CCC=NC2=C1.
What is the InChIKey of 3,5-dihydroquinoline?
The InChIKey is KYZDIGYNDXHWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,5-7H,3-4H2.
What are the key properties of 3,5-dihydroquinoline?
3,5-dihydroquinoline has a molecular weight of 131.18 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroquinoline is sourced from PubChem (CID 174813599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).