ethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate

C16H21NO3 — CID 11694754

IUPACethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate
SMILESCCOC(=O)/C(C)=C1/CC(O)(c2ccccc2)C(C)N1
InChIInChI=1S/C16H21NO3/c1-4-20-15(18)11(2)14-10-16(19,12(3)17-14)13-8-6-5-7-9-13/h5-9,12,17,19H,4,10H2,1-3H3/b14-11-
InChIKeyQNNAOYGWGVWWHS-KAMYIIQDSA-N
MW275.35 g/mol
LogP2.09
Rot. Bonds3

About ethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate

ethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate (PubChem CID 11694754) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate
PubChem CID11694754
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate
SMILESCCOC(=O)/C(C)=C1/CC(O)(c2ccccc2)C(C)N1
InChIInChI=1S/C16H21NO3/c1-4-20-15(18)11(2)14-10-16(19,12(3)17-14)13-8-6-5-7-9-13/h5-9,12,17,19H,4,10H2,1-3H3/b14-11-
InChIKeyQNNAOYGWGVWWHS-KAMYIIQDSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate 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

cis-diethyl (3R,4R)-4-ethenyl-3-hydroxy-3-phenylcyclopentane-1,1-dicarboxylate
CID 177406220
cis-diethyl (3R,4R)-3-hydroxy-3-phenyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 177406977
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
ethyl 2-(4-methylcyclohexylidene)propanoate
CID 11041686
cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane
CID 158468057
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
ethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate
CID 11514306
5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate
CID 161249759
ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
CID 6451155
ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate
CID 110471120
ethyl 2-methylprop-2-enoate;phthalic acid
CID 66831473

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate?
The IUPAC name of ethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate (CID 11694754) is ethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate.
What is the SMILES notation for ethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate?
The canonical SMILES for ethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate is CCOC(=O)/C(C)=C1/CC(O)(c2ccccc2)C(C)N1.
What is the InChIKey of ethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate?
The InChIKey is QNNAOYGWGVWWHS-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-20-15(18)11(2)14-10-16(19,12(3)17-14)13-8-6-5-7-9-13/h5-9,12,17,19H,4,10H2,1-3H3/b14-11-.
What are the key properties of ethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate?
ethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate has a molecular weight of 275.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(4-hydroxy-5-methyl-4-phenylpyrrolidin-2-ylidene)propanoate is sourced from PubChem (CID 11694754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).