methyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate

C8H9NO5 — CID 134973148

IUPACmethyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate
SMILESCOC(=O)/C=C\C(=O)N1CCOC1=O
InChIInChI=1S/C8H9NO5/c1-13-7(11)3-2-6(10)9-4-5-14-8(9)12/h2-3H,4-5H2,1H3/b3-2-
InChIKeyRGOXHVMJDFBAOV-IHWYPQMZSA-N
MW199.16 g/mol
LogP-0.20
Rot. Bonds3

About methyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate

methyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate (PubChem CID 134973148) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is methyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate
PubChem CID134973148
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Namemethyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate
SMILESCOC(=O)/C=C\C(=O)N1CCOC1=O
InChIInChI=1S/C8H9NO5/c1-13-7(11)3-2-6(10)9-4-5-14-8(9)12/h2-3H,4-5H2,1H3/b3-2-
InChIKeyRGOXHVMJDFBAOV-IHWYPQMZSA-N
XLogP-0.20
TPSA72.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity296

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Diroximel Fumarate
CID 73330464
2-Propenoic acid, 2-(2-oxo-3-oxazolidinyl)ethyl ester
CID 22728782
Ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate
CID 71342407
3-[(E)-2-Butenoyl]-1,3-oxazolidin-2-one
CID 5365845
3-(2-Butenoyl)-1,3-oxazolidin-2-one
CID 549611
3-[(E)-3-(Ethoxycarbonyl)propenoyl]-2-oxazolidinone
CID 10899953
3-[(E)-3-(methoxycarbonyl)propenoyl]-oxazolidin-2-one
CID 11769493
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
[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate
CID 72723663
methyl (Z)-4-oxo-4-pyrrolidin-1-ylbut-2-enoate
CID 102464445
ethyl (E)-4-oxo-4-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]but-2-enoate
CID 135081480

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?
The IUPAC name of methyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate (CID 134973148) is methyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate.
What is the SMILES notation for methyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?
The canonical SMILES for methyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate is COC(=O)/C=C\C(=O)N1CCOC1=O.
What is the InChIKey of methyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?
The InChIKey is RGOXHVMJDFBAOV-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H9NO5/c1-13-7(11)3-2-6(10)9-4-5-14-8(9)12/h2-3H,4-5H2,1H3/b3-2-.
What are the key properties of methyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?
methyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate has a molecular weight of 199.16 g/mol, XLogP of -0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate is sourced from PubChem (CID 134973148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).