[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone

C12H20ClNO3 — CID 114781292

IUPAC[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCOC2)CC(CCl)O1
InChIInChI=1S/C12H20ClNO3/c1-12(2)8-14(6-10(5-13)17-12)11(15)9-3-4-16-7-9/h9-10H,3-8H2,1-2H3
InChIKeyGACZMWBYOALXQN-UHFFFAOYSA-N
MW261.75 g/mol
LogP1.27
Rot. Bonds2

About [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone

[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone (PubChem CID 114781292) has the molecular formula C12H20ClNO3 and a molecular weight of 261.75 g/mol. Its IUPAC name is [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone
PubChem CID114781292
Molecular FormulaC12H20ClNO3
Molecular Weight261.75 g/mol
Exact Mass261.11
IUPAC Name[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCOC2)CC(CCl)O1
InChIInChI=1S/C12H20ClNO3/c1-12(2)8-14(6-10(5-13)17-12)11(15)9-3-4-16-7-9/h9-10H,3-8H2,1-2H3
InChIKeyGACZMWBYOALXQN-UHFFFAOYSA-N
XLogP1.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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]propan-1-one
CID 114781310
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184448
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-cycloheptylethanone
CID 114781363
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane
CID 144942244
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one
CID 114781375
(5-bromo-2-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781392
(5-chloro-2-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781270
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-chloro-4-methylphenyl)methanone
CID 114781128
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(4-chloro-3-methylphenyl)methanone
CID 114781262
(3-aminocyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776790
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3-dihydroxyphenyl)methanone
CID 114781203

Frequently Asked Questions

What is the IUPAC name of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone (CID 114781292) is [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone is CC1(C)CN(C(=O)C2CCOC2)CC(CCl)O1.
What is the InChIKey of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone?
The InChIKey is GACZMWBYOALXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO3/c1-12(2)8-14(6-10(5-13)17-12)11(15)9-3-4-16-7-9/h9-10H,3-8H2,1-2H3.
What are the key properties of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone?
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone has a molecular weight of 261.75 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 114781292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).