4-(3-bromopropyl)morpholin-3-one

C7H12BrNO2 — CID 79468113

IUPAC4-(3-bromopropyl)morpholin-3-one
SMILESO=C1COCCN1CCCBr
InChIInChI=1S/C7H12BrNO2/c8-2-1-3-9-4-5-11-6-7(9)10/h1-6H2
InChIKeyFFNOMDCQQAEXTC-UHFFFAOYSA-N
MW222.08 g/mol
LogP0.63
Rot. Bonds3

About 4-(3-bromopropyl)morpholin-3-one

4-(3-bromopropyl)morpholin-3-one (PubChem CID 79468113) has the molecular formula C7H12BrNO2 and a molecular weight of 222.08 g/mol. Its IUPAC name is 4-(3-bromopropyl)morpholin-3-one.

Molecular Properties

Compound Name4-(3-bromopropyl)morpholin-3-one
PubChem CID79468113
Molecular FormulaC7H12BrNO2
Molecular Weight222.08 g/mol
Exact Mass221.01
IUPAC Name4-(3-bromopropyl)morpholin-3-one
SMILESO=C1COCCN1CCCBr
InChIInChI=1S/C7H12BrNO2/c8-2-1-3-9-4-5-11-6-7(9)10/h1-6H2
InChIKeyFFNOMDCQQAEXTC-UHFFFAOYSA-N
XLogP0.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopropyl)morpholin-3-one?
The IUPAC name of 4-(3-bromopropyl)morpholin-3-one (CID 79468113) is 4-(3-bromopropyl)morpholin-3-one.
What is the SMILES notation for 4-(3-bromopropyl)morpholin-3-one?
The canonical SMILES for 4-(3-bromopropyl)morpholin-3-one is O=C1COCCN1CCCBr.
What is the InChIKey of 4-(3-bromopropyl)morpholin-3-one?
The InChIKey is FFNOMDCQQAEXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO2/c8-2-1-3-9-4-5-11-6-7(9)10/h1-6H2.
What are the key properties of 4-(3-bromopropyl)morpholin-3-one?
4-(3-bromopropyl)morpholin-3-one has a molecular weight of 222.08 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopropyl)morpholin-3-one is sourced from PubChem (CID 79468113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).