N-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine

C13H14N2 — CID 156571111

IUPACN-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine
SMILESC=CC1C=Cc2cccnc2C1/N=C/C
InChIInChI=1S/C13H14N2/c1-3-10-7-8-11-6-5-9-15-13(11)12(10)14-4-2/h3-10,12H,1H2,2H3/b14-4+
InChIKeyWNQVDQXJBCKTIX-LNKIKWGQSA-N
MW198.27 g/mol
LogP3.04
Rot. Bonds2

About N-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine

N-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine (PubChem CID 156571111) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine.

Molecular Properties

Compound NameN-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine
PubChem CID156571111
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC NameN-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine
SMILESC=CC1C=Cc2cccnc2C1/N=C/C
InChIInChI=1S/C13H14N2/c1-3-10-7-8-11-6-5-9-15-13(11)12(10)14-4-2/h3-10,12H,1H2,2H3/b14-4+
InChIKeyWNQVDQXJBCKTIX-LNKIKWGQSA-N
XLogP3.04
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine?
The IUPAC name of N-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine (CID 156571111) is N-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine.
What is the SMILES notation for N-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine?
The canonical SMILES for N-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine is C=CC1C=Cc2cccnc2C1/N=C/C.
What is the InChIKey of N-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine?
The InChIKey is WNQVDQXJBCKTIX-LNKIKWGQSA-N. The full InChI is InChI=1S/C13H14N2/c1-3-10-7-8-11-6-5-9-15-13(11)12(10)14-4-2/h3-10,12H,1H2,2H3/b14-4+.
What are the key properties of N-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine?
N-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine has a molecular weight of 198.27 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-ethenyl-7,8-dihydroquinolin-8-yl)ethanimine is sourced from PubChem (CID 156571111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).