2,6-dimethylmorpholine-4-carbonyl chloride

C7H12ClNO2 — CID 19080228

IUPAC2,6-dimethylmorpholine-4-carbonyl chloride
SMILESCC1CN(C(=O)Cl)CC(C)O1
InChIInChI=1S/C7H12ClNO2/c1-5-3-9(7(8)10)4-6(2)11-5/h5-6H,3-4H2,1-2H3
InChIKeyROBIABICEDEGND-UHFFFAOYSA-N
MW177.63 g/mol
LogP1.45
Rot. Bonds

About 2,6-dimethylmorpholine-4-carbonyl chloride

2,6-dimethylmorpholine-4-carbonyl chloride (PubChem CID 19080228) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 2,6-dimethylmorpholine-4-carbonyl chloride.

Molecular Properties

Compound Name2,6-dimethylmorpholine-4-carbonyl chloride
PubChem CID19080228
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name2,6-dimethylmorpholine-4-carbonyl chloride
SMILESCC1CN(C(=O)Cl)CC(C)O1
InChIInChI=1S/C7H12ClNO2/c1-5-3-9(7(8)10)4-6(2)11-5/h5-6H,3-4H2,1-2H3
InChIKeyROBIABICEDEGND-UHFFFAOYSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
5-methyl-1,3-oxazolidine-3-carbonyl chloride
CID 45081291
1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione
CID 131176238
(2S)-2-methylmorpholine-4-carbonyl chloride
CID 151798222
trans-(1S,2S)-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124574972
(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl chloride
CID 131028451
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-pyrrolidin-1-ylmethanone
CID 103931869
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
CID 153278899
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
1-(2,7-dimethyl-1,4-oxazepan-4-yl)ethanone
CID 146290513

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylmorpholine-4-carbonyl chloride?
The IUPAC name of 2,6-dimethylmorpholine-4-carbonyl chloride (CID 19080228) is 2,6-dimethylmorpholine-4-carbonyl chloride.
What is the SMILES notation for 2,6-dimethylmorpholine-4-carbonyl chloride?
The canonical SMILES for 2,6-dimethylmorpholine-4-carbonyl chloride is CC1CN(C(=O)Cl)CC(C)O1.
What is the InChIKey of 2,6-dimethylmorpholine-4-carbonyl chloride?
The InChIKey is ROBIABICEDEGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-5-3-9(7(8)10)4-6(2)11-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethylmorpholine-4-carbonyl chloride?
2,6-dimethylmorpholine-4-carbonyl chloride has a molecular weight of 177.63 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylmorpholine-4-carbonyl chloride is sourced from PubChem (CID 19080228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).