4a,5-dihydroquinoline

C9H9N — CID 70645692

IUPAC4a,5-dihydroquinoline
SMILESC1=CCC2C=CC=NC2=C1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-3,5-8H,4H2
InChIKeyBEGXQKXXANVSEX-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.09
Rot. Bonds

About 4a,5-dihydroquinoline

4a,5-dihydroquinoline (PubChem CID 70645692) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 4a,5-dihydroquinoline.

Molecular Properties

Compound Name4a,5-dihydroquinoline
PubChem CID70645692
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name4a,5-dihydroquinoline
SMILESC1=CCC2C=CC=NC2=C1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-3,5-8H,4H2
InChIKeyBEGXQKXXANVSEX-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4a,5-dihydroquinoline?
The IUPAC name of 4a,5-dihydroquinoline (CID 70645692) is 4a,5-dihydroquinoline.
What is the SMILES notation for 4a,5-dihydroquinoline?
The canonical SMILES for 4a,5-dihydroquinoline is C1=CCC2C=CC=NC2=C1.
What is the InChIKey of 4a,5-dihydroquinoline?
The InChIKey is BEGXQKXXANVSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-3,5-8H,4H2.
What are the key properties of 4a,5-dihydroquinoline?
4a,5-dihydroquinoline has a molecular weight of 131.18 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dihydroquinoline is sourced from PubChem (CID 70645692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).