methyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate

C13H11NO5 — CID 71476745

IUPACmethyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate
SMILESCOC(=O)/C=C(/c1ccccc1)N1C(=O)COC1=O
InChIInChI=1S/C13H11NO5/c1-18-12(16)7-10(9-5-3-2-4-6-9)14-11(15)8-19-13(14)17/h2-7H,8H2,1H3/b10-7-
InChIKeyWJLXEJOKLKFHBC-YFHOEESVSA-N
MW261.23 g/mol
LogP1.18
Rot. Bonds3

About methyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate

methyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate (PubChem CID 71476745) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is methyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate
PubChem CID71476745
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Namemethyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate
SMILESCOC(=O)/C=C(/c1ccccc1)N1C(=O)COC1=O
InChIInChI=1S/C13H11NO5/c1-18-12(16)7-10(9-5-3-2-4-6-9)14-11(15)8-19-13(14)17/h2-7H,8H2,1H3/b10-7-
InChIKeyWJLXEJOKLKFHBC-YFHOEESVSA-N
XLogP1.18
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.18
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

methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate
CID 139041263
methyl (E)-3-phenylbut-2-enoate
CID 5354835
methyl 3-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 78030797
methyl 4-methyl-3-phenylpent-2-enoate
CID 85106865
methyl (Z)-3-phenyl-3-trimethylstannylprop-2-enoate
CID 10663790
dimethyl (2E,4E)-3-phenylhexa-2,4-dienedioate
CID 132558709
methyl (Z)-3-(2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 72946801
methyl (E)-4,4-dichloro-3-phenylbut-2-enoate
CID 121219418
methyl (Z)-3,5-diphenylpent-2-enoate
CID 118455591
methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate
CID 101482031
methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate
CID 71127944
methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate
CID 82017646

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate?
The IUPAC name of methyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate (CID 71476745) is methyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate?
The canonical SMILES for methyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate is COC(=O)/C=C(/c1ccccc1)N1C(=O)COC1=O.
What is the InChIKey of methyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate?
The InChIKey is WJLXEJOKLKFHBC-YFHOEESVSA-N. The full InChI is InChI=1S/C13H11NO5/c1-18-12(16)7-10(9-5-3-2-4-6-9)14-11(15)8-19-13(14)17/h2-7H,8H2,1H3/b10-7-.
What are the key properties of methyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate?
methyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate has a molecular weight of 261.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(2,4-dioxo-1,3-oxazolidin-3-yl)-3-phenylprop-2-enoate is sourced from PubChem (CID 71476745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).