3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride

C8H14ClNO2 — CID 165496688

IUPAC3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride
SMILESCCOCC1CCN(C(=O)Cl)C1
InChIInChI=1S/C8H14ClNO2/c1-2-12-6-7-3-4-10(5-7)8(9)11/h7H,2-6H2,1H3
InChIKeyAELQPKLIUAAIRG-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.70
Rot. Bonds3

About 3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride

3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride (PubChem CID 165496688) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride.

Molecular Properties

Compound Name3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride
PubChem CID165496688
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride
SMILESCCOCC1CCN(C(=O)Cl)C1
InChIInChI=1S/C8H14ClNO2/c1-2-12-6-7-3-4-10(5-7)8(9)11/h7H,2-6H2,1H3
InChIKeyAELQPKLIUAAIRG-UHFFFAOYSA-N
XLogP1.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.70
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-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
CID 97100937
2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 121201391
(2S)-2-amino-1-[3-(ethoxymethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119341199
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119814328
2-azido-1-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanone
CID 129498117
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119341172
3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129497255
(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134293
[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129380230
3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111998274
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119341197

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride?
The IUPAC name of 3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride (CID 165496688) is 3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride.
What is the SMILES notation for 3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride?
The canonical SMILES for 3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride is CCOCC1CCN(C(=O)Cl)C1.
What is the InChIKey of 3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride?
The InChIKey is AELQPKLIUAAIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-2-12-6-7-3-4-10(5-7)8(9)11/h7H,2-6H2,1H3.
What are the key properties of 3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride?
3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride has a molecular weight of 191.66 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride is sourced from PubChem (CID 165496688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).