ethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate

C14H23NO4 — CID 10890911

IUPACethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC/C1=C\C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-5-18-13(17)10-15-8-6-7-11(15)9-12(16)19-14(2,3)4/h9H,5-8,10H2,1-4H3/b11-9+
InChIKeyMDYUALZGFDGEPP-PKNBQFBNSA-N
MW269.34 g/mol
LogP1.87
Rot. Bonds4

About ethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate

ethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate (PubChem CID 10890911) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate
PubChem CID10890911
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nameethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC/C1=C\C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-5-18-13(17)10-15-8-6-7-11(15)9-12(16)19-14(2,3)4/h9H,5-8,10H2,1-4H3/b11-9+
InChIKeyMDYUALZGFDGEPP-PKNBQFBNSA-N
XLogP1.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate with MolForge

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Related Compounds

ethyl (2E)-2-(1-prop-2-ynylpyrrolidin-2-ylidene)acetate
CID 11389929
ethyl 2-(2-sulfanylidenepyrrolidin-1-yl)acetate
CID 71395056
ethyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetate
CID 10615174
tert-butyl (3S)-3-[(2E)-2-(2-ethoxy-2-oxoethylidene)pyrrolidin-1-yl]octanoate
CID 135625488
ethyl 2-(2-cyanoiminopyrrolidin-1-yl)acetate
CID 3073573
ethyl (2E)-2-(1-benzylazepan-2-ylidene)acetate
CID 10378598
ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate
CID 135312242
tert-butyl 2-cyclobutylideneacetate;formic acid
CID 162050243
tert-butyl 2-(2-ethoxy-2-oxoethylidene)-5-methylpyrrolidine-1-carboxylate
CID 155892500
ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 60735402
ethyl 2-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
CID 21311677
ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate
CID 104679887

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate (CID 10890911) is ethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate is CCOC(=O)CN1CCC/C1=C\C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate?
The InChIKey is MDYUALZGFDGEPP-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-18-13(17)10-15-8-6-7-11(15)9-12(16)19-14(2,3)4/h9H,5-8,10H2,1-4H3/b11-9+.
What are the key properties of ethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate?
ethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate has a molecular weight of 269.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate is sourced from PubChem (CID 10890911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).