(E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol

C20H23NO — CID 91991271

IUPAC(E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol
SMILESOC(/C=C(/CN1CCCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO/c22-20(18-11-5-2-6-12-18)15-19(16-21-13-7-8-14-21)17-9-3-1-4-10-17/h1-6,9-12,15,20,22H,7-8,13-14,16H2/b19-15-
InChIKeyUEOCWRDXEOWSRS-CYVLTUHYSA-N
MW293.41 g/mol
LogP3.90
Rot. Bonds5

About (E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol

(E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol (PubChem CID 91991271) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol
PubChem CID91991271
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol
SMILESOC(/C=C(/CN1CCCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO/c22-20(18-11-5-2-6-12-18)15-19(16-21-13-7-8-14-21)17-9-3-1-4-10-17/h1-6,9-12,15,20,22H,7-8,13-14,16H2/b19-15-
InChIKeyUEOCWRDXEOWSRS-CYVLTUHYSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Z)-2,3-diphenylprop-2-enyl]pyrrolidine
CID 11334542
(1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol
CID 177487208
1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride
CID 53347376
1-(2-phenylpent-2-enyl)-1,4-diazepane
CID 156609005
(Z)-4,4,4-trifluoro-1,3-diphenylbut-2-en-1-ol
CID 15517209
1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol
CID 2840251
(Z)-1,4-diphenylbut-2-ene-1,4-diol
CID 12815414
3-[1-[(Z)-4-methyl-2-phenylpent-2-enyl]piperidin-3-yl]propanamide
CID 131925370
(1S,2R)-3-(azepan-1-yl)-1-(4-bromophenyl)-2-phenylpropan-1-ol
CID 31196420
N-(2-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 57274046
[(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate
CID 177441507
1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;hydrobromide
CID 122236711

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol?
The IUPAC name of (E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol (CID 91991271) is (E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol.
What is the SMILES notation for (E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol?
The canonical SMILES for (E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol is OC(/C=C(/CN1CCCC1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol?
The InChIKey is UEOCWRDXEOWSRS-CYVLTUHYSA-N. The full InChI is InChI=1S/C20H23NO/c22-20(18-11-5-2-6-12-18)15-19(16-21-13-7-8-14-21)17-9-3-1-4-10-17/h1-6,9-12,15,20,22H,7-8,13-14,16H2/b19-15-.
What are the key properties of (E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol?
(E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol has a molecular weight of 293.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol is sourced from PubChem (CID 91991271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).