(5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione

C11H9NO4 — CID 70294296

IUPAC(5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCOc1cccc(/C=C2\OC(=O)NC2=O)c1
InChIInChI=1S/C11H9NO4/c1-15-8-4-2-3-7(5-8)6-9-10(13)12-11(14)16-9/h2-6H,1H3,(H,12,13,14)/b9-6-
InChIKeyGSBCAPJCQAFTOC-TWGQIWQCSA-N
MW219.20 g/mol
LogP1.30
Rot. Bonds2

About (5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione

(5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 70294296) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is (5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
PubChem CID70294296
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name(5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCOc1cccc(/C=C2\OC(=O)NC2=O)c1
InChIInChI=1S/C11H9NO4/c1-15-8-4-2-3-7(5-8)6-9-10(13)12-11(14)16-9/h2-6H,1H3,(H,12,13,14)/b9-6-
InChIKeyGSBCAPJCQAFTOC-TWGQIWQCSA-N
XLogP1.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[(2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]phenyl] acetate
CID 70297971
(5E)-5-[(3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 2259996
(5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione
CID 71181347
5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione
CID 69015481
(2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 46838130
2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171128369
(4E)-2-(2,6-dimethoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893798
2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one
CID 4773519
[2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate
CID 4601532
1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 76801340
(5E)-1-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6523030
(5Z)-5-[(3-methoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 873247

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione (CID 70294296) is (5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione is COc1cccc(/C=C2\OC(=O)NC2=O)c1.
What is the InChIKey of (5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is GSBCAPJCQAFTOC-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H9NO4/c1-15-8-4-2-3-7(5-8)6-9-10(13)12-11(14)16-9/h2-6H,1H3,(H,12,13,14)/b9-6-.
What are the key properties of (5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
(5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 219.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 70294296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).