3-ethylmorpholine-4-carbonyl chloride

C7H12ClNO2 — CID 79887430

IUPAC3-ethylmorpholine-4-carbonyl chloride
SMILESCCC1COCCN1C(=O)Cl
InChIInChI=1S/C7H12ClNO2/c1-2-6-5-11-4-3-9(6)7(8)10/h6H,2-5H2,1H3
InChIKeyYKQRLQLUAGOWPS-UHFFFAOYSA-N
MW177.63 g/mol
LogP1.46
Rot. Bonds1

About 3-ethylmorpholine-4-carbonyl chloride

3-ethylmorpholine-4-carbonyl chloride (PubChem CID 79887430) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 3-ethylmorpholine-4-carbonyl chloride.

Molecular Properties

Compound Name3-ethylmorpholine-4-carbonyl chloride
PubChem CID79887430
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name3-ethylmorpholine-4-carbonyl chloride
SMILESCCC1COCCN1C(=O)Cl
InChIInChI=1S/C7H12ClNO2/c1-2-6-5-11-4-3-9(6)7(8)10/h6H,2-5H2,1H3
InChIKeyYKQRLQLUAGOWPS-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.46
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

1-(3-ethylmorpholin-4-yl)but-2-en-1-one
CID 78966287
2-amino-1-(3-ethylmorpholin-4-yl)propan-1-one
CID 43613241
2-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43613382
N-(2-aminoethyl)-3-ethyl-N-methylmorpholine-4-carboxamide
CID 82509083
2-hydroxyethyl 3-ethylmorpholine-4-carboxylate
CID 79349487
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838
cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98549374
2-(2-aminocyclohexyl)-1-(3-ethylmorpholin-4-yl)ethanone
CID 62782698
5-bromo-1-(3-ethylmorpholin-4-yl)pentan-1-one
CID 107908453
N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide
CID 43613314

Frequently Asked Questions

What is the IUPAC name of 3-ethylmorpholine-4-carbonyl chloride?
The IUPAC name of 3-ethylmorpholine-4-carbonyl chloride (CID 79887430) is 3-ethylmorpholine-4-carbonyl chloride.
What is the SMILES notation for 3-ethylmorpholine-4-carbonyl chloride?
The canonical SMILES for 3-ethylmorpholine-4-carbonyl chloride is CCC1COCCN1C(=O)Cl.
What is the InChIKey of 3-ethylmorpholine-4-carbonyl chloride?
The InChIKey is YKQRLQLUAGOWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-2-6-5-11-4-3-9(6)7(8)10/h6H,2-5H2,1H3.
What are the key properties of 3-ethylmorpholine-4-carbonyl chloride?
3-ethylmorpholine-4-carbonyl chloride has a molecular weight of 177.63 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylmorpholine-4-carbonyl chloride is sourced from PubChem (CID 79887430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).