3-prop-2-enoyl-1,3-oxazolidine-2,4-dione

C6H5NO4 — CID 141007312

IUPAC3-prop-2-enoyl-1,3-oxazolidine-2,4-dione
SMILESC=CC(=O)N1C(=O)COC1=O
InChIInChI=1S/C6H5NO4/c1-2-4(8)7-5(9)3-11-6(7)10/h2H,1,3H2
InChIKeyBPCGFICGMWQQLQ-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.32
Rot. Bonds1

About 3-prop-2-enoyl-1,3-oxazolidine-2,4-dione

3-prop-2-enoyl-1,3-oxazolidine-2,4-dione (PubChem CID 141007312) has the molecular formula C6H5NO4 and a molecular weight of 155.11 g/mol. Its IUPAC name is 3-prop-2-enoyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-prop-2-enoyl-1,3-oxazolidine-2,4-dione
PubChem CID141007312
Molecular FormulaC6H5NO4
Molecular Weight155.11 g/mol
Exact Mass155.02
IUPAC Name3-prop-2-enoyl-1,3-oxazolidine-2,4-dione
SMILESC=CC(=O)N1C(=O)COC1=O
InChIInChI=1S/C6H5NO4/c1-2-4(8)7-5(9)3-11-6(7)10/h2H,1,3H2
InChIKeyBPCGFICGMWQQLQ-UHFFFAOYSA-N
XLogP-0.32
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Prop-2-enoyl-1,3-oxazolidin-4-one
CID 70587818
3-Prop-2-enoyl-1,3-oxazolidin-2-id-4-one
CID 154418111

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-prop-2-enoyl-1,3-oxazolidine-2,4-dione (CID 141007312) is 3-prop-2-enoyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-prop-2-enoyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-prop-2-enoyl-1,3-oxazolidine-2,4-dione is C=CC(=O)N1C(=O)COC1=O.
What is the InChIKey of 3-prop-2-enoyl-1,3-oxazolidine-2,4-dione?
The InChIKey is BPCGFICGMWQQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4/c1-2-4(8)7-5(9)3-11-6(7)10/h2H,1,3H2.
What are the key properties of 3-prop-2-enoyl-1,3-oxazolidine-2,4-dione?
3-prop-2-enoyl-1,3-oxazolidine-2,4-dione has a molecular weight of 155.11 g/mol, XLogP of -0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 141007312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).