3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine

C22H19NO — CID 6539779

IUPAC3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESC(=C1\CCc2cc(OCc3ccccc3)ccc21)\c1cccnc1
InChIInChI=1S/C22H19NO/c1-2-5-17(6-3-1)16-24-21-10-11-22-19(8-9-20(22)14-21)13-18-7-4-12-23-15-18/h1-7,10-15H,8-9,16H2/b19-13+
InChIKeyNRLKJMDVQNFQJP-CPNJWEJPSA-N
MW313.40 g/mol
LogP5.15
Rot. Bonds4

About 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine

3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine (PubChem CID 6539779) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine.

Molecular Properties

Compound Name3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine
PubChem CID6539779
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESC(=C1\CCc2cc(OCc3ccccc3)ccc21)\c1cccnc1
InChIInChI=1S/C22H19NO/c1-2-5-17(6-3-1)16-24-21-10-11-22-19(8-9-20(22)14-21)13-18-7-4-12-23-15-18/h1-7,10-15H,8-9,16H2/b19-13+
InChIKeyNRLKJMDVQNFQJP-CPNJWEJPSA-N
XLogP5.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The IUPAC name of 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine (CID 6539779) is 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine.
What is the SMILES notation for 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The canonical SMILES for 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine is C(=C1\CCc2cc(OCc3ccccc3)ccc21)\c1cccnc1.
What is the InChIKey of 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The InChIKey is NRLKJMDVQNFQJP-CPNJWEJPSA-N. The full InChI is InChI=1S/C22H19NO/c1-2-5-17(6-3-1)16-24-21-10-11-22-19(8-9-20(22)14-21)13-18-7-4-12-23-15-18/h1-7,10-15H,8-9,16H2/b19-13+.
What are the key properties of 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine has a molecular weight of 313.40 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine is sourced from PubChem (CID 6539779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).