4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione

C8H11NO4 — CID 89243134

IUPAC4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione
SMILESC=C(C)OC(C)C1NC(=O)OC1=O
InChIInChI=1S/C8H11NO4/c1-4(2)12-5(3)6-7(10)13-8(11)9-6/h5-6H,1H2,2-3H3,(H,9,11)
InChIKeyGTYJRAITTCYLKK-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.56
Rot. Bonds3

About 4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione

4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione (PubChem CID 89243134) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione
PubChem CID89243134
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione
SMILESC=C(C)OC(C)C1NC(=O)OC1=O
InChIInChI=1S/C8H11NO4/c1-4(2)12-5(3)6-7(10)13-8(11)9-6/h5-6H,1H2,2-3H3,(H,9,11)
InChIKeyGTYJRAITTCYLKK-UHFFFAOYSA-N
XLogP0.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione (CID 89243134) is 4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione is C=C(C)OC(C)C1NC(=O)OC1=O.
What is the InChIKey of 4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione?
The InChIKey is GTYJRAITTCYLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-4(2)12-5(3)6-7(10)13-8(11)9-6/h5-6H,1H2,2-3H3,(H,9,11).
What are the key properties of 4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione?
4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione has a molecular weight of 185.18 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-prop-1-en-2-yloxyethyl)-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 89243134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).