(5E)-5-benzylideneindeno[1,2-b]pyridine

C19H13N — CID 1202788

IUPAC(5E)-5-benzylideneindeno[1,2-b]pyridine
SMILESC(=C1\c2ccccc2-c2ncccc21)\c1ccccc1
InChIInChI=1S/C19H13N/c1-2-7-14(8-3-1)13-18-15-9-4-5-10-16(15)19-17(18)11-6-12-20-19/h1-13H/b18-13+
InChIKeyPXURFKLZUIFPSQ-QGOAFFKASA-N
MW255.32 g/mol
LogP4.65
Rot. Bonds1

About (5E)-5-benzylideneindeno[1,2-b]pyridine

(5E)-5-benzylideneindeno[1,2-b]pyridine (PubChem CID 1202788) has the molecular formula C19H13N and a molecular weight of 255.32 g/mol. Its IUPAC name is (5E)-5-benzylideneindeno[1,2-b]pyridine.

Molecular Properties

Compound Name(5E)-5-benzylideneindeno[1,2-b]pyridine
PubChem CID1202788
Molecular FormulaC19H13N
Molecular Weight255.32 g/mol
Exact Mass255.10
IUPAC Name(5E)-5-benzylideneindeno[1,2-b]pyridine
SMILESC(=C1\c2ccccc2-c2ncccc21)\c1ccccc1
InChIInChI=1S/C19H13N/c1-2-7-14(8-3-1)13-18-15-9-4-5-10-16(15)19-17(18)11-6-12-20-19/h1-13H/b18-13+
InChIKeyPXURFKLZUIFPSQ-QGOAFFKASA-N
XLogP4.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylideneindeno[1,2-b]pyridine?
The IUPAC name of (5E)-5-benzylideneindeno[1,2-b]pyridine (CID 1202788) is (5E)-5-benzylideneindeno[1,2-b]pyridine.
What is the SMILES notation for (5E)-5-benzylideneindeno[1,2-b]pyridine?
The canonical SMILES for (5E)-5-benzylideneindeno[1,2-b]pyridine is C(=C1\c2ccccc2-c2ncccc21)\c1ccccc1.
What is the InChIKey of (5E)-5-benzylideneindeno[1,2-b]pyridine?
The InChIKey is PXURFKLZUIFPSQ-QGOAFFKASA-N. The full InChI is InChI=1S/C19H13N/c1-2-7-14(8-3-1)13-18-15-9-4-5-10-16(15)19-17(18)11-6-12-20-19/h1-13H/b18-13+.
What are the key properties of (5E)-5-benzylideneindeno[1,2-b]pyridine?
(5E)-5-benzylideneindeno[1,2-b]pyridine has a molecular weight of 255.32 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylideneindeno[1,2-b]pyridine is sourced from PubChem (CID 1202788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).