3-ethenyl-4a,8a-dihydroquinoline

C11H11N — CID 70259139

IUPAC3-ethenyl-4a,8a-dihydroquinoline
SMILESC=CC1=CC2C=CC=CC2N=C1
InChIInChI=1S/C11H11N/c1-2-9-7-10-5-3-4-6-11(10)12-8-9/h2-8,10-11H,1H2
InChIKeyPPGOVIPKOQGTRV-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.29
Rot. Bonds1

About 3-ethenyl-4a,8a-dihydroquinoline

3-ethenyl-4a,8a-dihydroquinoline (PubChem CID 70259139) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-ethenyl-4a,8a-dihydroquinoline.

Molecular Properties

Compound Name3-ethenyl-4a,8a-dihydroquinoline
PubChem CID70259139
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name3-ethenyl-4a,8a-dihydroquinoline
SMILESC=CC1=CC2C=CC=CC2N=C1
InChIInChI=1S/C11H11N/c1-2-9-7-10-5-3-4-6-11(10)12-8-9/h2-8,10-11H,1H2
InChIKeyPPGOVIPKOQGTRV-UHFFFAOYSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4a,8a-dihydroquinoline?
The IUPAC name of 3-ethenyl-4a,8a-dihydroquinoline (CID 70259139) is 3-ethenyl-4a,8a-dihydroquinoline.
What is the SMILES notation for 3-ethenyl-4a,8a-dihydroquinoline?
The canonical SMILES for 3-ethenyl-4a,8a-dihydroquinoline is C=CC1=CC2C=CC=CC2N=C1.
What is the InChIKey of 3-ethenyl-4a,8a-dihydroquinoline?
The InChIKey is PPGOVIPKOQGTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-2-9-7-10-5-3-4-6-11(10)12-8-9/h2-8,10-11H,1H2.
What are the key properties of 3-ethenyl-4a,8a-dihydroquinoline?
3-ethenyl-4a,8a-dihydroquinoline has a molecular weight of 157.22 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4a,8a-dihydroquinoline is sourced from PubChem (CID 70259139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).