ethane;5-ethenyl-7,8-dihydroquinoline

C13H17N — CID 177360263

IUPACethane;5-ethenyl-7,8-dihydroquinoline
SMILESC=CC1=CCCc2ncccc21.CC
InChIInChI=1S/C11H11N.C2H6/c1-2-9-5-3-7-11-10(9)6-4-8-12-11;1-2/h2,4-6,8H,1,3,7H2;1-2H3
InChIKeyJOUNGWCPBOTRJO-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.62
Rot. Bonds1

About ethane;5-ethenyl-7,8-dihydroquinoline

ethane;5-ethenyl-7,8-dihydroquinoline (PubChem CID 177360263) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is ethane;5-ethenyl-7,8-dihydroquinoline.

Molecular Properties

Compound Nameethane;5-ethenyl-7,8-dihydroquinoline
PubChem CID177360263
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Nameethane;5-ethenyl-7,8-dihydroquinoline
SMILESC=CC1=CCCc2ncccc21.CC
InChIInChI=1S/C11H11N.C2H6/c1-2-9-5-3-7-11-10(9)6-4-8-12-11;1-2/h2,4-6,8H,1,3,7H2;1-2H3
InChIKeyJOUNGWCPBOTRJO-UHFFFAOYSA-N
XLogP3.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-7,8-dihydroquinoline?
The IUPAC name of ethane;5-ethenyl-7,8-dihydroquinoline (CID 177360263) is ethane;5-ethenyl-7,8-dihydroquinoline.
What is the SMILES notation for ethane;5-ethenyl-7,8-dihydroquinoline?
The canonical SMILES for ethane;5-ethenyl-7,8-dihydroquinoline is C=CC1=CCCc2ncccc21.CC.
What is the InChIKey of ethane;5-ethenyl-7,8-dihydroquinoline?
The InChIKey is JOUNGWCPBOTRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C2H6/c1-2-9-5-3-7-11-10(9)6-4-8-12-11;1-2/h2,4-6,8H,1,3,7H2;1-2H3.
What are the key properties of ethane;5-ethenyl-7,8-dihydroquinoline?
ethane;5-ethenyl-7,8-dihydroquinoline has a molecular weight of 187.29 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-7,8-dihydroquinoline is sourced from PubChem (CID 177360263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).