3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one

C₆H₆ClNO₃ — CID 10931953

About 3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one

3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 10931953) has the molecular formula C₆H₆ClNO₃ and a molecular weight of 175.57 g/mol. Its IUPAC name is 3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one
• PubChem CID: 10931953
• Molecular Formula: C₆H₆ClNO₃
• Molecular Weight: 175.57 g/mol
• Exact Mass: 175.00
• IUPAC Name: 3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one
• SMILES: O=C(/C=C/Cl)N1CCOC1=O
• InChI: InChI=1S/C6H6ClNO3/c7-2-1-5(9)8-3-4-11-6(8)10/h1-2H,3-4H2/b2-1+
• InChIKey: LCDOKTZKBLKQTB-OWOJBTEDSA-N
• XLogP: 0.72
• TPSA: 46.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	175.57
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one (CID 10931953) is 3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one is O=C(/C=C/Cl)N1CCOC1=O.

What is the InChIKey of 3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one?

The InChIKey is LCDOKTZKBLKQTB-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H6ClNO3/c7-2-1-5(9)8-3-4-11-6(8)10/h1-2H,3-4H2/b2-1+.

What are the key properties of 3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one?

3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 175.57 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10931953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10931953 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.