ethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate

C10H13NO4 — CID 101480461

IUPACethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate
SMILESCCOC(=O)/C=C/C(=O)N1CCCC1=O
InChIInChI=1S/C10H13NO4/c1-2-15-10(14)6-5-9(13)11-7-3-4-8(11)12/h5-6H,2-4,7H2,1H3/b6-5+
InChIKeyNTQFAVUFEISSRP-AATRIKPKSA-N
MW211.22 g/mol
LogP0.25
Rot. Bonds3

About ethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate

ethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate (PubChem CID 101480461) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate
PubChem CID101480461
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate
SMILESCCOC(=O)/C=C/C(=O)N1CCCC1=O
InChIInChI=1S/C10H13NO4/c1-2-15-10(14)6-5-9(13)11-7-3-4-8(11)12/h5-6H,2-4,7H2,1H3/b6-5+
InChIKeyNTQFAVUFEISSRP-AATRIKPKSA-N
XLogP0.25
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diroximel Fumarate
CID 73330464
N-vinyl-2-pyrrolidinone dibutyl maleate
CID 6441621
Ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate
CID 71342407
(E)-4-(2-(2,5-Dioxopyrrolidin-1-yl)ethoxy)-4-oxobut-2-enoic acid
CID 129283834
carbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium
CID 10915703
3-[(E)-3-(Ethoxycarbonyl)propenoyl]-2-oxazolidinone
CID 10899953
maleic anhydride N-vinylpyrrolidone
CID 22904624
1-[2-(2,5-Dioxo-1-pyrrolidinyl)ethyl] (2Z)-2-butenedioate
CID 129283851
O4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl] O1-methyl but-2-enedioate
CID 129317826
5-Acetoxy-1-acetyl-3-pyrrolin-2-one
CID 11019519
methyl (Z)-4-oxo-4-pyrrolidin-1-ylbut-2-enoate
CID 102464445
Propan-2-yl 4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate
CID 123840950

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate?
The IUPAC name of ethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate (CID 101480461) is ethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate.
What is the SMILES notation for ethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate?
The canonical SMILES for ethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate is CCOC(=O)/C=C/C(=O)N1CCCC1=O.
What is the InChIKey of ethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate?
The InChIKey is NTQFAVUFEISSRP-AATRIKPKSA-N. The full InChI is InChI=1S/C10H13NO4/c1-2-15-10(14)6-5-9(13)11-7-3-4-8(11)12/h5-6H,2-4,7H2,1H3/b6-5+.
What are the key properties of ethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate?
ethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate has a molecular weight of 211.22 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate is sourced from PubChem (CID 101480461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).