4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione

C11H9Cl2NO3 — CID 126721192

IUPAC4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H9Cl2NO3/c12-8-2-1-3-9(13)7(8)4-14-10(15)5-17-6-11(14)16/h1-3H,4-6H2
InChIKeyDKDHNXLXKGKJKL-UHFFFAOYSA-N
MW274.10 g/mol
LogP1.88
Rot. Bonds2

About 4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione

4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione (PubChem CID 126721192) has the molecular formula C11H9Cl2NO3 and a molecular weight of 274.10 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione
PubChem CID126721192
Molecular FormulaC11H9Cl2NO3
Molecular Weight274.10 g/mol
Exact Mass273.00
IUPAC Name4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H9Cl2NO3/c12-8-2-1-3-9(13)7(8)4-14-10(15)5-17-6-11(14)16/h1-3H,4-6H2
InChIKeyDKDHNXLXKGKJKL-UHFFFAOYSA-N
XLogP1.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-6-chlorophenyl)methyl]morpholin-3-one
CID 79468371
1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one
CID 62874448
4-[(3-amino-2-methylphenyl)methyl]morpholine-3,5-dione
CID 61311743
3-[(2,6-dichlorophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 84573203
3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 63745600
1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione
CID 64875034
1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 58733453
1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione
CID 82117290
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
1-[(2,6-dichlorophenyl)methyl]pyrrole
CID 63811760
4-(1-benzothiophen-3-ylmethyl)morpholine-3,5-dione
CID 2732786
2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 17023423

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione?
The IUPAC name of 4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione (CID 126721192) is 4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione is O=C1COCC(=O)N1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione?
The InChIKey is DKDHNXLXKGKJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO3/c12-8-2-1-3-9(13)7(8)4-14-10(15)5-17-6-11(14)16/h1-3H,4-6H2.
What are the key properties of 4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione?
4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione has a molecular weight of 274.10 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione is sourced from PubChem (CID 126721192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).