4-ethylidene-1,2-oxazolidine-3,5-dione

C5H5NO3 — CID 173086545

IUPAC4-ethylidene-1,2-oxazolidine-3,5-dione
SMILESCC=C1C(=O)NOC1=O
InChIInChI=1S/C5H5NO3/c1-2-3-4(7)6-9-5(3)8/h2H,1H3,(H,6,7)
InChIKeyMNWUPCSJFANOPN-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.48
Rot. Bonds

About 4-ethylidene-1,2-oxazolidine-3,5-dione

4-ethylidene-1,2-oxazolidine-3,5-dione (PubChem CID 173086545) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 4-ethylidene-1,2-oxazolidine-3,5-dione.

Molecular Properties

Compound Name4-ethylidene-1,2-oxazolidine-3,5-dione
PubChem CID173086545
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name4-ethylidene-1,2-oxazolidine-3,5-dione
SMILESCC=C1C(=O)NOC1=O
InChIInChI=1S/C5H5NO3/c1-2-3-4(7)6-9-5(3)8/h2H,1H3,(H,6,7)
InChIKeyMNWUPCSJFANOPN-UHFFFAOYSA-N
XLogP-0.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethylidene-1,2-oxazolidine-3,5-dione?
The IUPAC name of 4-ethylidene-1,2-oxazolidine-3,5-dione (CID 173086545) is 4-ethylidene-1,2-oxazolidine-3,5-dione.
What is the SMILES notation for 4-ethylidene-1,2-oxazolidine-3,5-dione?
The canonical SMILES for 4-ethylidene-1,2-oxazolidine-3,5-dione is CC=C1C(=O)NOC1=O.
What is the InChIKey of 4-ethylidene-1,2-oxazolidine-3,5-dione?
The InChIKey is MNWUPCSJFANOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c1-2-3-4(7)6-9-5(3)8/h2H,1H3,(H,6,7).
What are the key properties of 4-ethylidene-1,2-oxazolidine-3,5-dione?
4-ethylidene-1,2-oxazolidine-3,5-dione has a molecular weight of 127.10 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-1,2-oxazolidine-3,5-dione is sourced from PubChem (CID 173086545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).