1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone

C12H20ClNO2 — CID 103166687

IUPAC1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone
SMILESCC1COC(CCl)CN1C(=O)CC1CCC1
InChIInChI=1S/C12H20ClNO2/c1-9-8-16-11(6-13)7-14(9)12(15)5-10-3-2-4-10/h9-11H,2-8H2,1H3
InChIKeyALXQKRVDURSNLT-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.03
Rot. Bonds3

About 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone

1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone (PubChem CID 103166687) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone.

Molecular Properties

Compound Name1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone
PubChem CID103166687
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone
SMILESCC1COC(CCl)CN1C(=O)CC1CCC1
InChIInChI=1S/C12H20ClNO2/c1-9-8-16-11(6-13)7-14(9)12(15)5-10-3-2-4-10/h9-11H,2-8H2,1H3
InChIKeyALXQKRVDURSNLT-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.03
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-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone
CID 81212285
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-cyclopentylpropan-1-one
CID 81212550
1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-cycloheptylethanone
CID 114459047
2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone
CID 95157279
[2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone
CID 81211556
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-methylbutan-1-one
CID 81211802
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 81211564
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone
CID 81211726
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 81208543
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(oxan-3-yl)methanone
CID 81211312
2-(2-aminocyclohexyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81213064
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81203290

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone?
The IUPAC name of 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone (CID 103166687) is 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone.
What is the SMILES notation for 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone?
The canonical SMILES for 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone is CC1COC(CCl)CN1C(=O)CC1CCC1.
What is the InChIKey of 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone?
The InChIKey is ALXQKRVDURSNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c1-9-8-16-11(6-13)7-14(9)12(15)5-10-3-2-4-10/h9-11H,2-8H2,1H3.
What are the key properties of 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone?
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone has a molecular weight of 245.75 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone is sourced from PubChem (CID 103166687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).