1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one

C11H20BrNO2 — CID 114876906

IUPAC1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCOC(CBr)C1
InChIInChI=1S/C11H20BrNO2/c1-3-9(2)6-11(14)13-4-5-15-10(7-12)8-13/h9-10H,3-8H2,1-2H3
InChIKeyYGHQJWNEDXPDQL-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.04
Rot. Bonds4

About 1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one

1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one (PubChem CID 114876906) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one
PubChem CID114876906
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCOC(CBr)C1
InChIInChI=1S/C11H20BrNO2/c1-3-9(2)6-11(14)13-4-5-15-10(7-12)8-13/h9-10H,3-8H2,1-2H3
InChIKeyYGHQJWNEDXPDQL-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 114873390
1-[2-(bromomethyl)morpholin-4-yl]-3,3,3-trifluoropropan-1-one
CID 81211374
1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604041
1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one
CID 81211878
2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966724
1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 81210723
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 81212043
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 114875391
2-(bromomethyl)-4-pentan-3-ylmorpholine
CID 81213271
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 81209564
2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone
CID 102543735

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one?
The IUPAC name of 1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one (CID 114876906) is 1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one.
What is the SMILES notation for 1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one?
The canonical SMILES for 1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one is CCC(C)CC(=O)N1CCOC(CBr)C1.
What is the InChIKey of 1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one?
The InChIKey is YGHQJWNEDXPDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-3-9(2)6-11(14)13-4-5-15-10(7-12)8-13/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one?
1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one has a molecular weight of 278.19 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one is sourced from PubChem (CID 114876906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).