1,8a-dihydroquinoline

C9H9N — CID 15706945

IUPAC1,8a-dihydroquinoline
SMILESC1=CNC2C=CC=CC2=C1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7,9-10H
InChIKeyYQLNSMNKELHLRZ-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.52
Rot. Bonds

About 1,8a-dihydroquinoline

1,8a-dihydroquinoline (PubChem CID 15706945) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 1,8a-dihydroquinoline.

Molecular Properties

Compound Name1,8a-dihydroquinoline
PubChem CID15706945
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name1,8a-dihydroquinoline
SMILESC1=CNC2C=CC=CC2=C1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7,9-10H
InChIKeyYQLNSMNKELHLRZ-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,8a-dihydroquinoline?
The IUPAC name of 1,8a-dihydroquinoline (CID 15706945) is 1,8a-dihydroquinoline.
What is the SMILES notation for 1,8a-dihydroquinoline?
The canonical SMILES for 1,8a-dihydroquinoline is C1=CNC2C=CC=CC2=C1.
What is the InChIKey of 1,8a-dihydroquinoline?
The InChIKey is YQLNSMNKELHLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7,9-10H.
What are the key properties of 1,8a-dihydroquinoline?
1,8a-dihydroquinoline has a molecular weight of 131.18 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8a-dihydroquinoline is sourced from PubChem (CID 15706945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).