4-(3-bromopropyl)morpholine-3,5-dione

C7H10BrNO3 — CID 59600132

IUPAC4-(3-bromopropyl)morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCCBr
InChIInChI=1S/C7H10BrNO3/c8-2-1-3-9-6(10)4-12-5-7(9)11/h1-5H2
InChIKeyXLTAUFLUHNRDQJ-UHFFFAOYSA-N
MW236.06 g/mol
LogP0.16
Rot. Bonds3

About 4-(3-bromopropyl)morpholine-3,5-dione

4-(3-bromopropyl)morpholine-3,5-dione (PubChem CID 59600132) has the molecular formula C7H10BrNO3 and a molecular weight of 236.06 g/mol. Its IUPAC name is 4-(3-bromopropyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(3-bromopropyl)morpholine-3,5-dione
PubChem CID59600132
Molecular FormulaC7H10BrNO3
Molecular Weight236.06 g/mol
Exact Mass234.98
IUPAC Name4-(3-bromopropyl)morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCCBr
InChIInChI=1S/C7H10BrNO3/c8-2-1-3-9-6(10)4-12-5-7(9)11/h1-5H2
InChIKeyXLTAUFLUHNRDQJ-UHFFFAOYSA-N
XLogP0.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 50.16
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

3-Bromo-1-morpholinopropan-1-one
CID 12829247
6-(Bromomethyl)-4-methylmorpholin-3-one
CID 121597589
1-[2-(Bromomethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103212312
4-(3-Fluoropropyl)morpholine-3,5-dione
CID 130715002
4-(4-Bromobutyl)morpholine-3,5-dione
CID 14006905
4-(2-Bromoethyl)morpholin-3-one
CID 15287403
4-Propylmorpholin-3-one
CID 57710199
4-(3-Bromopropyl)morpholin-3-one
CID 79468113
1-(3-Bromomorpholin-4-yl)propan-1-one
CID 132012964
4-(1-Bromopropyl)morpholin-3-one
CID 141306306
4-Propanoylmorpholin-3-one
CID 163239451
1-(2-Bromomorpholin-4-yl)propan-1-one
CID 174521235

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopropyl)morpholine-3,5-dione?
The IUPAC name of 4-(3-bromopropyl)morpholine-3,5-dione (CID 59600132) is 4-(3-bromopropyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(3-bromopropyl)morpholine-3,5-dione?
The canonical SMILES for 4-(3-bromopropyl)morpholine-3,5-dione is O=C1COCC(=O)N1CCCBr.
What is the InChIKey of 4-(3-bromopropyl)morpholine-3,5-dione?
The InChIKey is XLTAUFLUHNRDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO3/c8-2-1-3-9-6(10)4-12-5-7(9)11/h1-5H2.
What are the key properties of 4-(3-bromopropyl)morpholine-3,5-dione?
4-(3-bromopropyl)morpholine-3,5-dione has a molecular weight of 236.06 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopropyl)morpholine-3,5-dione is sourced from PubChem (CID 59600132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).