ethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate

C17H23NO2 — CID 15105249

IUPACethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate
SMILESCCOC(=O)/C(CCCc1ccccc1)=C1\CCCN1
InChIInChI=1S/C17H23NO2/c1-2-20-17(19)15(16-12-7-13-18-16)11-6-10-14-8-4-3-5-9-14/h3-5,8-9,18H,2,6-7,10-13H2,1H3/b16-15+
InChIKeyAYEWYGYMJYYCGG-FOCLMDBBSA-N
MW273.38 g/mol
LogP3.21
Rot. Bonds6

About ethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate

ethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate (PubChem CID 15105249) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is ethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate.

Molecular Properties

Compound Nameethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate
PubChem CID15105249
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nameethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate
SMILESCCOC(=O)/C(CCCc1ccccc1)=C1\CCCN1
InChIInChI=1S/C17H23NO2/c1-2-20-17(19)15(16-12-7-13-18-16)11-6-10-14-8-4-3-5-9-14/h3-5,8-9,18H,2,6-7,10-13H2,1H3/b16-15+
InChIKeyAYEWYGYMJYYCGG-FOCLMDBBSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 101423249
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ethyl 2-benzhydrylidene-4-phenylbutanoate
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3-ethoxycarbonyl-5-phenylpent-2-enoic acid
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CID 154407365
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butylbenzene;ethyl carbamate
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ethyl 2-(3-methylpiperidin-4-ylidene)-3-phenylpropanoate
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ethyl 4-phenylbutanoate;1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamic acid
CID 177182416
benzene;ethyl acetate;3-phenylpropan-1-ol
CID 158644115
ethyl 2-imino-4-phenylbutanoate
CID 89001230
ethoxycarbonyl 5-phenylpentanoate
CID 174404488

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate?
The IUPAC name of ethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate (CID 15105249) is ethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate.
What is the SMILES notation for ethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate?
The canonical SMILES for ethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate is CCOC(=O)/C(CCCc1ccccc1)=C1\CCCN1.
What is the InChIKey of ethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate?
The InChIKey is AYEWYGYMJYYCGG-FOCLMDBBSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-20-17(19)15(16-12-7-13-18-16)11-6-10-14-8-4-3-5-9-14/h3-5,8-9,18H,2,6-7,10-13H2,1H3/b16-15+.
What are the key properties of ethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate?
ethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate has a molecular weight of 273.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-5-phenyl-2-pyrrolidin-2-ylidenepentanoate is sourced from PubChem (CID 15105249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).