[2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate

C23H27NO2 — CID 6446984

IUPAC[2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(C/C=C/c2ccccc2)C1C
InChIInChI=1S/C23H27NO2/c1-3-22(25)26-23(21-14-8-5-9-15-21)16-18-24(19(23)2)17-10-13-20-11-6-4-7-12-20/h4-15,19H,3,16-18H2,1-2H3/b13-10+
InChIKeyZPJXRHIWYVEEJC-JLHYYAGUSA-N
MW349.47 g/mol
LogP4.64
Rot. Bonds6

About [2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate

[2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate (PubChem CID 6446984) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is [2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate.

Molecular Properties

Compound Name[2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate
PubChem CID6446984
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name[2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(C/C=C/c2ccccc2)C1C
InChIInChI=1S/C23H27NO2/c1-3-22(25)26-23(21-14-8-5-9-15-21)16-18-24(19(23)2)17-10-13-20-11-6-4-7-12-20/h4-15,19H,3,16-18H2,1-2H3/b13-10+
InChIKeyZPJXRHIWYVEEJC-JLHYYAGUSA-N
XLogP4.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate?
The IUPAC name of [2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate (CID 6446984) is [2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate.
What is the SMILES notation for [2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate?
The canonical SMILES for [2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate is CCC(=O)OC1(c2ccccc2)CCN(C/C=C/c2ccccc2)C1C.
What is the InChIKey of [2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate?
The InChIKey is ZPJXRHIWYVEEJC-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H27NO2/c1-3-22(25)26-23(21-14-8-5-9-15-21)16-18-24(19(23)2)17-10-13-20-11-6-4-7-12-20/h4-15,19H,3,16-18H2,1-2H3/b13-10+.
What are the key properties of [2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate?
[2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate has a molecular weight of 349.47 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate is sourced from PubChem (CID 6446984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).