1-(2-ethoxyethyl)pyrrolidine

C8H17NO — CID 19977928

IUPAC1-(2-ethoxyethyl)pyrrolidine
SMILESCCOCCN1CCCC1
InChIInChI=1S/C8H17NO/c1-2-10-8-7-9-5-3-4-6-9/h2-8H2,1H3
InChIKeyCMXVZKXLGXHBSQ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.12
Rot. Bonds4

About 1-(2-ethoxyethyl)pyrrolidine

1-(2-ethoxyethyl)pyrrolidine (PubChem CID 19977928) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)pyrrolidine
PubChem CID19977928
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(2-ethoxyethyl)pyrrolidine
SMILESCCOCCN1CCCC1
InChIInChI=1S/C8H17NO/c1-2-10-8-7-9-5-3-4-6-9/h2-8H2,1H3
InChIKeyCMXVZKXLGXHBSQ-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.12
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 1-(2-ethoxyethyl)pyrrolidine?
The IUPAC name of 1-(2-ethoxyethyl)pyrrolidine (CID 19977928) is 1-(2-ethoxyethyl)pyrrolidine.
What is the SMILES notation for 1-(2-ethoxyethyl)pyrrolidine?
The canonical SMILES for 1-(2-ethoxyethyl)pyrrolidine is CCOCCN1CCCC1.
What is the InChIKey of 1-(2-ethoxyethyl)pyrrolidine?
The InChIKey is CMXVZKXLGXHBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-10-8-7-9-5-3-4-6-9/h2-8H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)pyrrolidine?
1-(2-ethoxyethyl)pyrrolidine has a molecular weight of 143.23 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)pyrrolidine is sourced from PubChem (CID 19977928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).