2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione

C10H5Cl2NO3 — CID 165345631

IUPAC2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione
SMILESO=C1OC(=C(Cl)Cl)N(c2ccccc2)C1=O
InChIInChI=1S/C10H5Cl2NO3/c11-7(12)9-13(8(14)10(15)16-9)6-4-2-1-3-5-6/h1-5H
InChIKeyMXDWJBUFCJXVHM-UHFFFAOYSA-N
MW258.06 g/mol
LogP2.18
Rot. Bonds1

About 2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione

2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione (PubChem CID 165345631) has the molecular formula C10H5Cl2NO3 and a molecular weight of 258.06 g/mol. Its IUPAC name is 2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione.

Molecular Properties

Compound Name2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione
PubChem CID165345631
Molecular FormulaC10H5Cl2NO3
Molecular Weight258.06 g/mol
Exact Mass256.96
IUPAC Name2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione
SMILESO=C1OC(=C(Cl)Cl)N(c2ccccc2)C1=O
InChIInChI=1S/C10H5Cl2NO3/c11-7(12)9-13(8(14)10(15)16-9)6-4-2-1-3-5-6/h1-5H
InChIKeyMXDWJBUFCJXVHM-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione?
The IUPAC name of 2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione (CID 165345631) is 2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione.
What is the SMILES notation for 2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione?
The canonical SMILES for 2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione is O=C1OC(=C(Cl)Cl)N(c2ccccc2)C1=O.
What is the InChIKey of 2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione?
The InChIKey is MXDWJBUFCJXVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO3/c11-7(12)9-13(8(14)10(15)16-9)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione?
2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione has a molecular weight of 258.06 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione is sourced from PubChem (CID 165345631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).