4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine

C23H21NO3 — CID 22914752

IUPAC4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESC1=C(/C=C/c2ccc3c(c2)OCO3)CCN(Cc2coc3ccccc23)C1
InChIInChI=1S/C23H21NO3/c1-2-4-21-20(3-1)19(15-25-21)14-24-11-9-17(10-12-24)5-6-18-7-8-22-23(13-18)27-16-26-22/h1-9,13,15H,10-12,14,16H2/b6-5+
InChIKeyHEFGGJJODRYTKV-AATRIKPKSA-N
MW359.43 g/mol
LogP5.01
Rot. Bonds4

About 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine

4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine (PubChem CID 22914752) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine
PubChem CID22914752
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESC1=C(/C=C/c2ccc3c(c2)OCO3)CCN(Cc2coc3ccccc23)C1
InChIInChI=1S/C23H21NO3/c1-2-4-21-20(3-1)19(15-25-21)14-24-11-9-17(10-12-24)5-6-18-7-8-22-23(13-18)27-16-26-22/h1-9,13,15H,10-12,14,16H2/b6-5+
InChIKeyHEFGGJJODRYTKV-AATRIKPKSA-N
XLogP5.01
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine with MolForge

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Related Compounds

1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 67710346
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
N-(1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 80700752
1-benzyl-4-[2-(4-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 54324538
2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one
CID 77393328
1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 67583435
5-[(Z)-2-bromoethenyl]-1,3-benzodioxole
CID 11310703
2-(1-benzofuran-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522440
5-(3-phenylprop-1-enyl)-1,3-benzodioxole
CID 154074400
2-[4-(1-benzofuran-3-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 80703690
1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine
CID 11186738

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine (CID 22914752) is 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine is C1=C(/C=C/c2ccc3c(c2)OCO3)CCN(Cc2coc3ccccc23)C1.
What is the InChIKey of 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is HEFGGJJODRYTKV-AATRIKPKSA-N. The full InChI is InChI=1S/C23H21NO3/c1-2-4-21-20(3-1)19(15-25-21)14-24-11-9-17(10-12-24)5-6-18-7-8-22-23(13-18)27-16-26-22/h1-9,13,15H,10-12,14,16H2/b6-5+.
What are the key properties of 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine?
4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 359.43 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 22914752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).