4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione

C10H6ClNO3 — CID 586793

IUPAC4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione
SMILESO=c1cc(-c2ccccc2Cl)[nH]c(=O)o1
InChIInChI=1S/C10H6ClNO3/c11-7-4-2-1-3-6(7)8-5-9(13)15-10(14)12-8/h1-5H,(H,12,14)
InChIKeySKJOPTOBUFXKMV-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.65
Rot. Bonds1

About 4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione

4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione (PubChem CID 586793) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione
PubChem CID586793
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione
SMILESO=c1cc(-c2ccccc2Cl)[nH]c(=O)o1
InChIInChI=1S/C10H6ClNO3/c11-7-4-2-1-3-6(7)8-5-9(13)15-10(14)12-8/h1-5H,(H,12,14)
InChIKeySKJOPTOBUFXKMV-UHFFFAOYSA-N
XLogP1.65
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione?
The IUPAC name of 4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione (CID 586793) is 4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione.
What is the SMILES notation for 4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione?
The canonical SMILES for 4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione is O=c1cc(-c2ccccc2Cl)[nH]c(=O)o1.
What is the InChIKey of 4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione?
The InChIKey is SKJOPTOBUFXKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-7-4-2-1-3-6(7)8-5-9(13)15-10(14)12-8/h1-5H,(H,12,14).
What are the key properties of 4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione?
4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione has a molecular weight of 223.62 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione is sourced from PubChem (CID 586793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).