1-(2-ethoxypropyl)pyrrolidine

C9H19NO — CID 23112887

IUPAC1-(2-ethoxypropyl)pyrrolidine
SMILESCCOC(C)CN1CCCC1
InChIInChI=1S/C9H19NO/c1-3-11-9(2)8-10-6-4-5-7-10/h9H,3-8H2,1-2H3
InChIKeyLSMGDPYTYXYPEH-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds4

About 1-(2-ethoxypropyl)pyrrolidine

1-(2-ethoxypropyl)pyrrolidine (PubChem CID 23112887) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(2-ethoxypropyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-ethoxypropyl)pyrrolidine
PubChem CID23112887
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(2-ethoxypropyl)pyrrolidine
SMILESCCOC(C)CN1CCCC1
InChIInChI=1S/C9H19NO/c1-3-11-9(2)8-10-6-4-5-7-10/h9H,3-8H2,1-2H3
InChIKeyLSMGDPYTYXYPEH-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypropyl)pyrrolidine?
The IUPAC name of 1-(2-ethoxypropyl)pyrrolidine (CID 23112887) is 1-(2-ethoxypropyl)pyrrolidine.
What is the SMILES notation for 1-(2-ethoxypropyl)pyrrolidine?
The canonical SMILES for 1-(2-ethoxypropyl)pyrrolidine is CCOC(C)CN1CCCC1.
What is the InChIKey of 1-(2-ethoxypropyl)pyrrolidine?
The InChIKey is LSMGDPYTYXYPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-11-9(2)8-10-6-4-5-7-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-ethoxypropyl)pyrrolidine?
1-(2-ethoxypropyl)pyrrolidine 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 1-(2-ethoxypropyl)pyrrolidine is sourced from PubChem (CID 23112887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).