3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione

C12H12ClNO3 — CID 56693031

IUPAC3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione
SMILESCC1(C)COC(=O)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C12H12ClNO3/c1-12(2)7-17-11(16)14(10(12)15)9-6-4-3-5-8(9)13/h3-6H,7H2,1-2H3
InChIKeyBDHZANLYFMJBOY-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.85
Rot. Bonds1

About 3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione

3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione (PubChem CID 56693031) has the molecular formula C12H12ClNO3 and a molecular weight of 253.69 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione
PubChem CID56693031
Molecular FormulaC12H12ClNO3
Molecular Weight253.69 g/mol
Exact Mass253.05
IUPAC Name3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione
SMILESCC1(C)COC(=O)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C12H12ClNO3/c1-12(2)7-17-11(16)14(10(12)15)9-6-4-3-5-8(9)13/h3-6H,7H2,1-2H3
InChIKeyBDHZANLYFMJBOY-UHFFFAOYSA-N
XLogP2.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione (CID 56693031) is 3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione is CC1(C)COC(=O)N(c2ccccc2Cl)C1=O.
What is the InChIKey of 3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione?
The InChIKey is BDHZANLYFMJBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-12(2)7-17-11(16)14(10(12)15)9-6-4-3-5-8(9)13/h3-6H,7H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione?
3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione has a molecular weight of 253.69 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 56693031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).