1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride

C9H20ClNO — CID 23116063

IUPAC1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride
SMILESCCOC[N+]1(CC)CCCC1.[Cl-]
InChIInChI=1S/C9H20NO.ClH/c1-3-10(9-11-4-2)7-5-6-8-10;/h3-9H2,1-2H3;1H/q+1;/p-1
InChIKeyMHJMGRZZXVRKCS-UHFFFAOYSA-M
MW193.72 g/mol
LogP-1.39
Rot. Bonds4

About 1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride

1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride (PubChem CID 23116063) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride.

Molecular Properties

Compound Name1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride
PubChem CID23116063
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride
SMILESCCOC[N+]1(CC)CCCC1.[Cl-]
InChIInChI=1S/C9H20NO.ClH/c1-3-10(9-11-4-2)7-5-6-8-10;/h3-9H2,1-2H3;1H/q+1;/p-1
InChIKeyMHJMGRZZXVRKCS-UHFFFAOYSA-M
XLogP-1.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride?
The IUPAC name of 1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride (CID 23116063) is 1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride.
What is the SMILES notation for 1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride?
The canonical SMILES for 1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride is CCOC[N+]1(CC)CCCC1.[Cl-].
What is the InChIKey of 1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride?
The InChIKey is MHJMGRZZXVRKCS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20NO.ClH/c1-3-10(9-11-4-2)7-5-6-8-10;/h3-9H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride?
1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride has a molecular weight of 193.72 g/mol, XLogP of -1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride is sourced from PubChem (CID 23116063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).