1-(2-propoxyethyl)pyrrolidine

C9H19NO — CID 22743294

IUPAC1-(2-propoxyethyl)pyrrolidine
SMILESCCCOCCN1CCCC1
InChIInChI=1S/C9H19NO/c1-2-8-11-9-7-10-5-3-4-6-10/h2-9H2,1H3
InChIKeyYTCJSZGMCXYDGV-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds5

About 1-(2-propoxyethyl)pyrrolidine

1-(2-propoxyethyl)pyrrolidine (PubChem CID 22743294) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(2-propoxyethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-propoxyethyl)pyrrolidine
PubChem CID22743294
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(2-propoxyethyl)pyrrolidine
SMILESCCCOCCN1CCCC1
InChIInChI=1S/C9H19NO/c1-2-8-11-9-7-10-5-3-4-6-10/h2-9H2,1H3
InChIKeyYTCJSZGMCXYDGV-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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 1-(2-propoxyethyl)pyrrolidine?
The IUPAC name of 1-(2-propoxyethyl)pyrrolidine (CID 22743294) is 1-(2-propoxyethyl)pyrrolidine.
What is the SMILES notation for 1-(2-propoxyethyl)pyrrolidine?
The canonical SMILES for 1-(2-propoxyethyl)pyrrolidine is CCCOCCN1CCCC1.
What is the InChIKey of 1-(2-propoxyethyl)pyrrolidine?
The InChIKey is YTCJSZGMCXYDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-8-11-9-7-10-5-3-4-6-10/h2-9H2,1H3.
What are the key properties of 1-(2-propoxyethyl)pyrrolidine?
1-(2-propoxyethyl)pyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyethyl)pyrrolidine is sourced from PubChem (CID 22743294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).