(5E)-5-benzylidene-3,4-dihydro-2H-pyridine

C12H13N — CID 13172005

IUPAC(5E)-5-benzylidene-3,4-dihydro-2H-pyridine
SMILESC1=NCCC/C1=C\c1ccccc1
InChIInChI=1S/C12H13N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-3,5-6,9-10H,4,7-8H2/b12-9+
InChIKeyDBPSQCKCIVSYTK-FMIVXFBMSA-N
MW171.24 g/mol
LogP2.93
Rot. Bonds1

About (5E)-5-benzylidene-3,4-dihydro-2H-pyridine

(5E)-5-benzylidene-3,4-dihydro-2H-pyridine (PubChem CID 13172005) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is (5E)-5-benzylidene-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name(5E)-5-benzylidene-3,4-dihydro-2H-pyridine
PubChem CID13172005
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name(5E)-5-benzylidene-3,4-dihydro-2H-pyridine
SMILESC1=NCCC/C1=C\c1ccccc1
InChIInChI=1S/C12H13N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-3,5-6,9-10H,4,7-8H2/b12-9+
InChIKeyDBPSQCKCIVSYTK-FMIVXFBMSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-3,4-dihydro-2H-pyridine?
The IUPAC name of (5E)-5-benzylidene-3,4-dihydro-2H-pyridine (CID 13172005) is (5E)-5-benzylidene-3,4-dihydro-2H-pyridine.
What is the SMILES notation for (5E)-5-benzylidene-3,4-dihydro-2H-pyridine?
The canonical SMILES for (5E)-5-benzylidene-3,4-dihydro-2H-pyridine is C1=NCCC/C1=C\c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-3,4-dihydro-2H-pyridine?
The InChIKey is DBPSQCKCIVSYTK-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H13N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-3,5-6,9-10H,4,7-8H2/b12-9+.
What are the key properties of (5E)-5-benzylidene-3,4-dihydro-2H-pyridine?
(5E)-5-benzylidene-3,4-dihydro-2H-pyridine has a molecular weight of 171.24 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 13172005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).