(4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione

C5H5NO3 — CID 10898725

IUPAC(4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione
SMILESC/C=C1\NC(=O)OC1=O
InChIInChI=1S/C5H5NO3/c1-2-3-4(7)9-5(8)6-3/h2H,1H3,(H,6,8)/b3-2-
InChIKeyQOELHUDOKRGQAZ-IHWYPQMZSA-N
MW127.10 g/mol
LogP0.16
Rot. Bonds

About (4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione

(4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione (PubChem CID 10898725) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is (4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione
PubChem CID10898725
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name(4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione
SMILESC/C=C1\NC(=O)OC1=O
InChIInChI=1S/C5H5NO3/c1-2-3-4(7)9-5(8)6-3/h2H,1H3,(H,6,8)/b3-2-
InChIKeyQOELHUDOKRGQAZ-IHWYPQMZSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione (CID 10898725) is (4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione is C/C=C1\NC(=O)OC1=O.
What is the InChIKey of (4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione?
The InChIKey is QOELHUDOKRGQAZ-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H5NO3/c1-2-3-4(7)9-5(8)6-3/h2H,1H3,(H,6,8)/b3-2-.
What are the key properties of (4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione?
(4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione has a molecular weight of 127.10 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 10898725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).