methyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate

C15H19NO2 — CID 5461835

IUPACmethyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C/C=C/c1ccccc1
InChIInChI=1S/C15H19NO2/c1-18-15(17)14-10-6-12-16(14)11-5-9-13-7-3-2-4-8-13/h2-5,7-9,14H,6,10-12H2,1H3/b9-5+/t14-/m0/s1
InChIKeyIOAVDOFCHUVINQ-KVEVGEHQSA-N
MW245.32 g/mol
LogP2.34
Rot. Bonds4

About methyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate (PubChem CID 5461835) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate
PubChem CID5461835
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C/C=C/c1ccccc1
InChIInChI=1S/C15H19NO2/c1-18-15(17)14-10-6-12-16(14)11-5-9-13-7-3-2-4-8-13/h2-5,7-9,14H,6,10-12H2,1H3/b9-5+/t14-/m0/s1
InChIKeyIOAVDOFCHUVINQ-KVEVGEHQSA-N
XLogP2.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate (CID 5461835) is methyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C/C=C/c1ccccc1.
What is the InChIKey of methyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate?
The InChIKey is IOAVDOFCHUVINQ-KVEVGEHQSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-15(17)14-10-6-12-16(14)11-5-9-13-7-3-2-4-8-13/h2-5,7-9,14H,6,10-12H2,1H3/b9-5+/t14-/m0/s1.
What are the key properties of methyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 5461835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).