[5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol

C20H19NO — CID 57414298

IUPAC[5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol
SMILESOCc1ccc(C(/C=C/c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C20H19NO/c22-15-18-12-14-20(21-18)19(17-9-5-2-6-10-17)13-11-16-7-3-1-4-8-16/h1-14,19,21-22H,15H2/b13-11+
InChIKeyPESSGCWOQIUPMJ-ACCUITESSA-N
MW289.38 g/mol
LogP4.35
Rot. Bonds5

About [5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol

[5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol (PubChem CID 57414298) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is [5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol
PubChem CID57414298
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name[5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol
SMILESOCc1ccc(C(/C=C/c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C20H19NO/c22-15-18-12-14-20(21-18)19(17-9-5-2-6-10-17)13-11-16-7-3-1-4-8-16/h1-14,19,21-22H,15H2/b13-11+
InChIKeyPESSGCWOQIUPMJ-ACCUITESSA-N
XLogP4.35
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol?
The IUPAC name of [5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol (CID 57414298) is [5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol.
What is the SMILES notation for [5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol?
The canonical SMILES for [5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol is OCc1ccc(C(/C=C/c2ccccc2)c2ccccc2)[nH]1.
What is the InChIKey of [5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol?
The InChIKey is PESSGCWOQIUPMJ-ACCUITESSA-N. The full InChI is InChI=1S/C20H19NO/c22-15-18-12-14-20(21-18)19(17-9-5-2-6-10-17)13-11-16-7-3-1-4-8-16/h1-14,19,21-22H,15H2/b13-11+.
What are the key properties of [5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol?
[5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol has a molecular weight of 289.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol is sourced from PubChem (CID 57414298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).