ethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate

C22H25NO2 — CID 10592914

IUPACethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate
SMILESCCOC(=O)/C(=C1\CCCN1[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-3-25-22(24)21(19-13-8-5-9-14-19)20-15-10-16-23(20)17(2)18-11-6-4-7-12-18/h4-9,11-14,17H,3,10,15-16H2,1-2H3/b21-20+/t17-/m1/s1
InChIKeyNBSIVHFGQLEMPT-SGRLSNSRSA-N
MW335.45 g/mol
LogP4.82
Rot. Bonds5

About ethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate

ethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate (PubChem CID 10592914) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is ethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate
PubChem CID10592914
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Nameethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate
SMILESCCOC(=O)/C(=C1\CCCN1[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-3-25-22(24)21(19-13-8-5-9-14-19)20-15-10-16-23(20)17(2)18-11-6-4-7-12-18/h4-9,11-14,17H,3,10,15-16H2,1-2H3/b21-20+/t17-/m1/s1
InChIKeyNBSIVHFGQLEMPT-SGRLSNSRSA-N
XLogP4.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate with MolForge

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

Launch Full Analysis

Related Compounds

dimethyl (2E)-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]pentanedioate
CID 10568492
methyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate
CID 11624457
ethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate
CID 70574061
ethyl 2,4-dioxo-3,4-diphenylbutanoate
CID 13028771
(1E)-1-[1-(1-phenylethyl)pyrrolidin-2-ylidene]propan-2-one
CID 11817063
ethyl (E,4S,5S,8E)-4-hydroxy-5-methyl-7-oxo-8-[1-(1-phenylethyl)pyrrolidin-2-ylidene]oct-2-enoate
CID 71559704
5-methyl-1-(1-phenylethyl)-2,3-dihydropyrrole-4-carboxylic acid
CID 118980957
ethyl 2-[6-(hydroxymethylidene)cyclohexa-2,4-dien-1-ylidene]-2-phenylacetate
CID 138982000
ethyl 4-hydroxy-5-oxo-1-[(1R)-1-phenylethyl]-2H-pyrrole-3-carboxylate
CID 54737685
ethyl (2S,3R)-3-methyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 175772723
4-[ethoxy(phenyl)methyl]benzoic acid
CID 22745121
tert-butyl 4-[2-[2-(2-ethoxy-2-oxoacetyl)hydrazinyl]-2-oxo-1-phenylethylidene]piperidine-1-carboxylate
CID 101384260

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate (CID 10592914) is ethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate is CCOC(=O)/C(=C1\CCCN1[C@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate?
The InChIKey is NBSIVHFGQLEMPT-SGRLSNSRSA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-25-22(24)21(19-13-8-5-9-14-19)20-15-10-16-23(20)17(2)18-11-6-4-7-12-18/h4-9,11-14,17H,3,10,15-16H2,1-2H3/b21-20+/t17-/m1/s1.
What are the key properties of ethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate?
ethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate has a molecular weight of 335.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-phenyl-2-[1-[(1R)-1-phenylethyl]pyrrolidin-2-ylidene]acetate is sourced from PubChem (CID 10592914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).