4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione

C12H12N2O4 — CID 54090664

IUPAC4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione
SMILESNCCOc1ccc(C=C2C(=O)NOC2=O)cc1
InChIInChI=1S/C12H12N2O4/c13-5-6-17-9-3-1-8(2-4-9)7-10-11(15)14-18-12(10)16/h1-4,7H,5-6,13H2,(H,14,15)
InChIKeyVHCPOLVTDMWGIN-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.00
Rot. Bonds4

About 4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione

4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione (PubChem CID 54090664) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione.

Molecular Properties

Compound Name4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione
PubChem CID54090664
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione
SMILESNCCOc1ccc(C=C2C(=O)NOC2=O)cc1
InChIInChI=1S/C12H12N2O4/c13-5-6-17-9-3-1-8(2-4-9)7-10-11(15)14-18-12(10)16/h1-4,7H,5-6,13H2,(H,14,15)
InChIKeyVHCPOLVTDMWGIN-UHFFFAOYSA-N
XLogP-0.00
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione?
The IUPAC name of 4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione (CID 54090664) is 4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione.
What is the SMILES notation for 4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione?
The canonical SMILES for 4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione is NCCOc1ccc(C=C2C(=O)NOC2=O)cc1.
What is the InChIKey of 4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione?
The InChIKey is VHCPOLVTDMWGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c13-5-6-17-9-3-1-8(2-4-9)7-10-11(15)14-18-12(10)16/h1-4,7H,5-6,13H2,(H,14,15).
What are the key properties of 4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione?
4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione has a molecular weight of 248.24 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-aminoethoxy)phenyl]methylidene]-1,2-oxazolidine-3,5-dione is sourced from PubChem (CID 54090664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).