5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine

C18H17N — CID 170006692

IUPAC5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine
SMILESC=CC1=CCCN=C1/C=C1/C=c2ccccc2=CC1
InChIInChI=1S/C18H17N/c1-2-15-8-5-11-19-18(15)13-14-9-10-16-6-3-4-7-17(16)12-14/h2-4,6-8,10,12-13H,1,5,9,11H2/b14-13+
InChIKeyRBKGWIVXTBVGLM-BUHFOSPRSA-N
MW247.34 g/mol
LogP2.53
Rot. Bonds2

About 5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine

5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine (PubChem CID 170006692) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine.

Molecular Properties

Compound Name5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine
PubChem CID170006692
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine
SMILESC=CC1=CCCN=C1/C=C1/C=c2ccccc2=CC1
InChIInChI=1S/C18H17N/c1-2-15-8-5-11-19-18(15)13-14-9-10-16-6-3-4-7-17(16)12-14/h2-4,6-8,10,12-13H,1,5,9,11H2/b14-13+
InChIKeyRBKGWIVXTBVGLM-BUHFOSPRSA-N
XLogP2.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine?
The IUPAC name of 5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine (CID 170006692) is 5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine.
What is the SMILES notation for 5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine?
The canonical SMILES for 5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine is C=CC1=CCCN=C1/C=C1/C=c2ccccc2=CC1.
What is the InChIKey of 5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine?
The InChIKey is RBKGWIVXTBVGLM-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H17N/c1-2-15-8-5-11-19-18(15)13-14-9-10-16-6-3-4-7-17(16)12-14/h2-4,6-8,10,12-13H,1,5,9,11H2/b14-13+.
What are the key properties of 5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine?
5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine has a molecular weight of 247.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-[(E)-3H-naphthalen-2-ylidenemethyl]-2,3-dihydropyridine is sourced from PubChem (CID 170006692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).