6-benzyl-2,3-dihydropyridine

C12H13N — CID 69174847

IUPAC6-benzyl-2,3-dihydropyridine
SMILESC1=CC(Cc2ccccc2)=NCC1
InChIInChI=1S/C12H13N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-4,6-8H,5,9-10H2
InChIKeyGKOAPHURVNPQIE-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.63
Rot. Bonds2

About 6-benzyl-2,3-dihydropyridine

6-benzyl-2,3-dihydropyridine (PubChem CID 69174847) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 6-benzyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-benzyl-2,3-dihydropyridine
PubChem CID69174847
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name6-benzyl-2,3-dihydropyridine
SMILESC1=CC(Cc2ccccc2)=NCC1
InChIInChI=1S/C12H13N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-4,6-8H,5,9-10H2
InChIKeyGKOAPHURVNPQIE-UHFFFAOYSA-N
XLogP2.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,3-dihydropyridine?
The IUPAC name of 6-benzyl-2,3-dihydropyridine (CID 69174847) is 6-benzyl-2,3-dihydropyridine.
What is the SMILES notation for 6-benzyl-2,3-dihydropyridine?
The canonical SMILES for 6-benzyl-2,3-dihydropyridine is C1=CC(Cc2ccccc2)=NCC1.
What is the InChIKey of 6-benzyl-2,3-dihydropyridine?
The InChIKey is GKOAPHURVNPQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-4,6-8H,5,9-10H2.
What are the key properties of 6-benzyl-2,3-dihydropyridine?
6-benzyl-2,3-dihydropyridine has a molecular weight of 171.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,3-dihydropyridine is sourced from PubChem (CID 69174847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).