ethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate

C14H17NO3 — CID 11514306

IUPACethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate
SMILESCCOC(=O)/C=C1/CC(O)(c2ccccc2)CN1
InChIInChI=1S/C14H17NO3/c1-2-18-13(16)8-12-9-14(17,10-15-12)11-6-4-3-5-7-11/h3-8,15,17H,2,9-10H2,1H3/b12-8-
InChIKeyZUJRHDKZQZVPIO-WQLSENKSSA-N
MW247.29 g/mol
LogP1.31
Rot. Bonds3

About ethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate

ethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate (PubChem CID 11514306) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate
PubChem CID11514306
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate
SMILESCCOC(=O)/C=C1/CC(O)(c2ccccc2)CN1
InChIInChI=1S/C14H17NO3/c1-2-18-13(16)8-12-9-14(17,10-15-12)11-6-4-3-5-7-11/h3-8,15,17H,2,9-10H2,1H3/b12-8-
InChIKeyZUJRHDKZQZVPIO-WQLSENKSSA-N
XLogP1.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2Z)-2-(3-oxoisoindol-1-ylidene)acetate
CID 139094769
ethyl (2E)-2-(3-methyl-4-oxo-5-phenyl-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
CID 6446061
ethyl (2E)-2-(1,3,3-triphenylphospholan-2-ylidene)acetate
CID 22717997
ethyl (2E)-2-(5-oxopiperazin-2-ylidene)acetate
CID 45099884
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
ethyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 154734195
ethyl 2-phenyliminoacetate
CID 7095267
ethyl (2Z)-2-[5-oxo-3,4-bis(phenylmethoxy)pyrrol-2-ylidene]acetate
CID 101467249
ethyl 4-hydroxy-4-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate
CID 10967911
ethyl (Z)-3-[(1R)-2,2-diphenylcyclopropyl]prop-2-enoate
CID 14347535
ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate
CID 14347536
ethyl (E)-3-[(1R)-2,2-diphenylcyclopropyl]prop-2-enoate
CID 14347534

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate (CID 11514306) is ethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate is CCOC(=O)/C=C1/CC(O)(c2ccccc2)CN1.
What is the InChIKey of ethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate?
The InChIKey is ZUJRHDKZQZVPIO-WQLSENKSSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-18-13(16)8-12-9-14(17,10-15-12)11-6-4-3-5-7-11/h3-8,15,17H,2,9-10H2,1H3/b12-8-.
What are the key properties of ethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate?
ethyl (2Z)-2-(4-hydroxy-4-phenylpyrrolidin-2-ylidene)acetate has a molecular weight of 247.29 g/mol, XLogP of 1.31, 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-4-phenylpyrrolidin-2-ylidene)acetate is sourced from PubChem (CID 11514306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).