1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride

C10H22ClNO — CID 23116094

IUPAC1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride
SMILESCCOC[N+]1(C(C)C)CCCC1.[Cl-]
InChIInChI=1S/C10H22NO.ClH/c1-4-12-9-11(10(2)3)7-5-6-8-11;/h10H,4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyHPUYSMXJARBRLQ-UHFFFAOYSA-M
MW207.74 g/mol
LogP-1.00
Rot. Bonds4

About 1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride

1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride (PubChem CID 23116094) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is 1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride.

Molecular Properties

Compound Name1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride
PubChem CID23116094
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Name1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride
SMILESCCOC[N+]1(C(C)C)CCCC1.[Cl-]
InChIInChI=1S/C10H22NO.ClH/c1-4-12-9-11(10(2)3)7-5-6-8-11;/h10H,4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyHPUYSMXJARBRLQ-UHFFFAOYSA-M
XLogP-1.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride?
The IUPAC name of 1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride (CID 23116094) is 1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride.
What is the SMILES notation for 1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride?
The canonical SMILES for 1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride is CCOC[N+]1(C(C)C)CCCC1.[Cl-].
What is the InChIKey of 1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride?
The InChIKey is HPUYSMXJARBRLQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22NO.ClH/c1-4-12-9-11(10(2)3)7-5-6-8-11;/h10H,4-9H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride?
1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride has a molecular weight of 207.74 g/mol, XLogP of -1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium chloride is sourced from PubChem (CID 23116094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).