2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione

C12H12ClNO3 — CID 12811046

IUPAC2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione
SMILESCC1(C)C(=O)ON(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C12H12ClNO3/c1-12(2)10(15)14(17-11(12)16)7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3
InChIKeyWPSHDIROLRLHJR-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.17
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione (PubChem CID 12811046) has the molecular formula C12H12ClNO3 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione
PubChem CID12811046
Molecular FormulaC12H12ClNO3
Molecular Weight253.69 g/mol
Exact Mass253.05
IUPAC Name2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione
SMILESCC1(C)C(=O)ON(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C12H12ClNO3/c1-12(2)10(15)14(17-11(12)16)7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3
InChIKeyWPSHDIROLRLHJR-UHFFFAOYSA-N
XLogP2.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione (CID 12811046) is 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione is CC1(C)C(=O)ON(Cc2ccccc2Cl)C1=O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione?
The InChIKey is WPSHDIROLRLHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-12(2)10(15)14(17-11(12)16)7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione?
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione has a molecular weight of 253.69 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione is sourced from PubChem (CID 12811046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).