4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione

C9H14BrNO3 — CID 64994662

IUPAC4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione
SMILESCC(C)(CBr)CN1C(=O)COCC1=O
InChIInChI=1S/C9H14BrNO3/c1-9(2,5-10)6-11-7(12)3-14-4-8(11)13/h3-6H2,1-2H3
InChIKeyFWDUKFPKSAGKPT-UHFFFAOYSA-N
MW264.12 g/mol
LogP0.79
Rot. Bonds3

About 4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione

4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione (PubChem CID 64994662) has the molecular formula C9H14BrNO3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione
PubChem CID64994662
Molecular FormulaC9H14BrNO3
Molecular Weight264.12 g/mol
Exact Mass263.02
IUPAC Name4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione
SMILESCC(C)(CBr)CN1C(=O)COCC1=O
InChIInChI=1S/C9H14BrNO3/c1-9(2,5-10)6-11-7(12)3-14-4-8(11)13/h3-6H2,1-2H3
InChIKeyFWDUKFPKSAGKPT-UHFFFAOYSA-N
XLogP0.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 50.79
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione?
The IUPAC name of 4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione (CID 64994662) is 4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione?
The canonical SMILES for 4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione is CC(C)(CBr)CN1C(=O)COCC1=O.
What is the InChIKey of 4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione?
The InChIKey is FWDUKFPKSAGKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO3/c1-9(2,5-10)6-11-7(12)3-14-4-8(11)13/h3-6H2,1-2H3.
What are the key properties of 4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione?
4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione has a molecular weight of 264.12 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione is sourced from PubChem (CID 64994662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).