1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one

C10H18ClNO2 — CID 114781310

IUPAC1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C10H18ClNO2/c1-4-9(13)12-6-8(5-11)14-10(2,3)7-12/h8H,4-7H2,1-3H3
InChIKeyNMIWRPBEFIOBRI-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.64
Rot. Bonds2

About 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one

1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one (PubChem CID 114781310) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
PubChem CID114781310
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C10H18ClNO2/c1-4-9(13)12-6-8(5-11)14-10(2,3)7-12/h8H,4-7H2,1-3H3
InChIKeyNMIWRPBEFIOBRI-UHFFFAOYSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.64
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-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one
CID 114781375
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-cycloheptylethanone
CID 114781363
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 114781317
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 114781292
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone
CID 114781279
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184448
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
CID 114781198
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-4-thiophen-2-ylbutan-1-one
CID 114781333
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3-dihydroxyphenyl)methanone
CID 114781203
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 114781299
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(4-chloro-3-methylphenyl)methanone
CID 114781262

Frequently Asked Questions

What is the IUPAC name of 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one?
The IUPAC name of 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one (CID 114781310) is 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one is CCC(=O)N1CC(CCl)OC(C)(C)C1.
What is the InChIKey of 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one?
The InChIKey is NMIWRPBEFIOBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-4-9(13)12-6-8(5-11)14-10(2,3)7-12/h8H,4-7H2,1-3H3.
What are the key properties of 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one?
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one has a molecular weight of 219.71 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 114781310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).