4-(1-bromopropyl)morpholin-3-one

C7H12BrNO2 — CID 141306306

IUPAC4-(1-bromopropyl)morpholin-3-one
SMILESCCC(Br)N1CCOCC1=O
InChIInChI=1S/C7H12BrNO2/c1-2-6(8)9-3-4-11-5-7(9)10/h6H,2-5H2,1H3
InChIKeyRZFFFBRVRFEOLR-UHFFFAOYSA-N
MW222.08 g/mol
LogP0.98
Rot. Bonds2

About 4-(1-bromopropyl)morpholin-3-one

4-(1-bromopropyl)morpholin-3-one (PubChem CID 141306306) has the molecular formula C7H12BrNO2 and a molecular weight of 222.08 g/mol. Its IUPAC name is 4-(1-bromopropyl)morpholin-3-one.

Molecular Properties

Compound Name4-(1-bromopropyl)morpholin-3-one
PubChem CID141306306
Molecular FormulaC7H12BrNO2
Molecular Weight222.08 g/mol
Exact Mass221.01
IUPAC Name4-(1-bromopropyl)morpholin-3-one
SMILESCCC(Br)N1CCOCC1=O
InChIInChI=1S/C7H12BrNO2/c1-2-6(8)9-3-4-11-5-7(9)10/h6H,2-5H2,1H3
InChIKeyRZFFFBRVRFEOLR-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-bromopropyl)morpholin-3-one?
The IUPAC name of 4-(1-bromopropyl)morpholin-3-one (CID 141306306) is 4-(1-bromopropyl)morpholin-3-one.
What is the SMILES notation for 4-(1-bromopropyl)morpholin-3-one?
The canonical SMILES for 4-(1-bromopropyl)morpholin-3-one is CCC(Br)N1CCOCC1=O.
What is the InChIKey of 4-(1-bromopropyl)morpholin-3-one?
The InChIKey is RZFFFBRVRFEOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO2/c1-2-6(8)9-3-4-11-5-7(9)10/h6H,2-5H2,1H3.
What are the key properties of 4-(1-bromopropyl)morpholin-3-one?
4-(1-bromopropyl)morpholin-3-one has a molecular weight of 222.08 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromopropyl)morpholin-3-one is sourced from PubChem (CID 141306306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).