4-benzoyl-2-chloromorpholin-3-one

C11H10ClNO3 — CID 19043816

IUPAC4-benzoyl-2-chloromorpholin-3-one
SMILESO=C(c1ccccc1)N1CCOC(Cl)C1=O
InChIInChI=1S/C11H10ClNO3/c12-9-11(15)13(6-7-16-9)10(14)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyNXLNTASQBYWERE-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.25
Rot. Bonds1

About 4-benzoyl-2-chloromorpholin-3-one

4-benzoyl-2-chloromorpholin-3-one (PubChem CID 19043816) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 4-benzoyl-2-chloromorpholin-3-one.

Molecular Properties

Compound Name4-benzoyl-2-chloromorpholin-3-one
PubChem CID19043816
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name4-benzoyl-2-chloromorpholin-3-one
SMILESO=C(c1ccccc1)N1CCOC(Cl)C1=O
InChIInChI=1S/C11H10ClNO3/c12-9-11(15)13(6-7-16-9)10(14)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyNXLNTASQBYWERE-UHFFFAOYSA-N
XLogP1.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-2-chloromorpholin-3-one?
The IUPAC name of 4-benzoyl-2-chloromorpholin-3-one (CID 19043816) is 4-benzoyl-2-chloromorpholin-3-one.
What is the SMILES notation for 4-benzoyl-2-chloromorpholin-3-one?
The canonical SMILES for 4-benzoyl-2-chloromorpholin-3-one is O=C(c1ccccc1)N1CCOC(Cl)C1=O.
What is the InChIKey of 4-benzoyl-2-chloromorpholin-3-one?
The InChIKey is NXLNTASQBYWERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c12-9-11(15)13(6-7-16-9)10(14)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 4-benzoyl-2-chloromorpholin-3-one?
4-benzoyl-2-chloromorpholin-3-one has a molecular weight of 239.66 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-2-chloromorpholin-3-one is sourced from PubChem (CID 19043816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).