2-(2-ethoxyethyl)-1-methylpyrrolidine

C9H19NO — CID 54556004

IUPAC2-(2-ethoxyethyl)-1-methylpyrrolidine
SMILESCCOCCC1CCCN1C
InChIInChI=1S/C9H19NO/c1-3-11-8-6-9-5-4-7-10(9)2/h9H,3-8H2,1-2H3
InChIKeyMTELQDQVOYKLMW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds4

About 2-(2-ethoxyethyl)-1-methylpyrrolidine

2-(2-ethoxyethyl)-1-methylpyrrolidine (PubChem CID 54556004) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-1-methylpyrrolidine
PubChem CID54556004
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(2-ethoxyethyl)-1-methylpyrrolidine
SMILESCCOCCC1CCCN1C
InChIInChI=1S/C9H19NO/c1-3-11-8-6-9-5-4-7-10(9)2/h9H,3-8H2,1-2H3
InChIKeyMTELQDQVOYKLMW-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-1-methylpyrrolidine?
The IUPAC name of 2-(2-ethoxyethyl)-1-methylpyrrolidine (CID 54556004) is 2-(2-ethoxyethyl)-1-methylpyrrolidine.
What is the SMILES notation for 2-(2-ethoxyethyl)-1-methylpyrrolidine?
The canonical SMILES for 2-(2-ethoxyethyl)-1-methylpyrrolidine is CCOCCC1CCCN1C.
What is the InChIKey of 2-(2-ethoxyethyl)-1-methylpyrrolidine?
The InChIKey is MTELQDQVOYKLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-11-8-6-9-5-4-7-10(9)2/h9H,3-8H2,1-2H3.
What are the key properties of 2-(2-ethoxyethyl)-1-methylpyrrolidine?
2-(2-ethoxyethyl)-1-methylpyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-1-methylpyrrolidine is sourced from PubChem (CID 54556004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).