3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine

C15H13N — CID 6539759

IUPAC3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine
SMILESC(=C1\CCc2ccccc21)\c1cccnc1
InChIInChI=1S/C15H13N/c1-2-6-15-13(5-1)7-8-14(15)10-12-4-3-9-16-11-12/h1-6,9-11H,7-8H2/b14-10+
InChIKeyWDSJJUYCBHIJRT-GXDHUFHOSA-N
MW207.28 g/mol
LogP3.57
Rot. Bonds1

About 3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine

3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine (PubChem CID 6539759) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine
PubChem CID6539759
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine
SMILESC(=C1\CCc2ccccc21)\c1cccnc1
InChIInChI=1S/C15H13N/c1-2-6-15-13(5-1)7-8-14(15)10-12-4-3-9-16-11-12/h1-6,9-11H,7-8H2/b14-10+
InChIKeyWDSJJUYCBHIJRT-GXDHUFHOSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine?
The IUPAC name of 3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine (CID 6539759) is 3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine.
What is the SMILES notation for 3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine?
The canonical SMILES for 3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine is C(=C1\CCc2ccccc21)\c1cccnc1.
What is the InChIKey of 3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine?
The InChIKey is WDSJJUYCBHIJRT-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H13N/c1-2-6-15-13(5-1)7-8-14(15)10-12-4-3-9-16-11-12/h1-6,9-11H,7-8H2/b14-10+.
What are the key properties of 3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine?
3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine has a molecular weight of 207.28 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine is sourced from PubChem (CID 6539759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).