1-(2-methoxyethyl)pyrrolidin-1-ium

C7H16NO+ — CID 59375925

IUPAC1-(2-methoxyethyl)pyrrolidin-1-ium
SMILESCOCC[NH+]1CCCC1
InChIInChI=1S/C7H15NO/c1-9-7-6-8-4-2-3-5-8/h2-7H2,1H3/p+1
InChIKeyZKLQIVPPHFQZOK-UHFFFAOYSA-O
MW130.21 g/mol
LogP-0.69
Rot. Bonds3

About 1-(2-methoxyethyl)pyrrolidin-1-ium

1-(2-methoxyethyl)pyrrolidin-1-ium (PubChem CID 59375925) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is 1-(2-methoxyethyl)pyrrolidin-1-ium.

Molecular Properties

Compound Name1-(2-methoxyethyl)pyrrolidin-1-ium
PubChem CID59375925
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name1-(2-methoxyethyl)pyrrolidin-1-ium
SMILESCOCC[NH+]1CCCC1
InChIInChI=1S/C7H15NO/c1-9-7-6-8-4-2-3-5-8/h2-7H2,1H3/p+1
InChIKeyZKLQIVPPHFQZOK-UHFFFAOYSA-O
XLogP-0.69
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(1-Methylethoxy)pyrrolidine
CID 68339378
Diethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 62327223
Butyl(2-methoxyethyl)amine
CID 3529507
2-(2-(Pyrrolidin-1-yl)ethoxy)ethan-1-amine
CID 10080641
(3S)-3-ethoxypyrrolidine
CID 11116030
3-Methoxypyrrolidine
CID 11355447
(3R)-3-methoxypyrrolidine hydrochloride
CID 45789898
(S)-3-methoxypyrrolidine hydrochloride
CID 45789911
Dimethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 13049041
Oxazolidine, 2-ethyl-
CID 550910
Oxazolidine, 2-propyl-
CID 551599
4-fluoro-N-(2-methoxyethyl)butan-1-amine
CID 81114280

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)pyrrolidin-1-ium?
The IUPAC name of 1-(2-methoxyethyl)pyrrolidin-1-ium (CID 59375925) is 1-(2-methoxyethyl)pyrrolidin-1-ium.
What is the SMILES notation for 1-(2-methoxyethyl)pyrrolidin-1-ium?
The canonical SMILES for 1-(2-methoxyethyl)pyrrolidin-1-ium is COCC[NH+]1CCCC1.
What is the InChIKey of 1-(2-methoxyethyl)pyrrolidin-1-ium?
The InChIKey is ZKLQIVPPHFQZOK-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15NO/c1-9-7-6-8-4-2-3-5-8/h2-7H2,1H3/p+1.
What are the key properties of 1-(2-methoxyethyl)pyrrolidin-1-ium?
1-(2-methoxyethyl)pyrrolidin-1-ium has a molecular weight of 130.21 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)pyrrolidin-1-ium is sourced from PubChem (CID 59375925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).