1-(3,3-diethoxypropyl)pyrrolidine

C11H23NO2 — CID 3783360

IUPAC1-(3,3-diethoxypropyl)pyrrolidine
SMILESCCOC(CCN1CCCC1)OCC
InChIInChI=1S/C11H23NO2/c1-3-13-11(14-4-2)7-10-12-8-5-6-9-12/h11H,3-10H2,1-2H3
InChIKeyAUAATUPVYCPDKE-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.87
Rot. Bonds7

About 1-(3,3-diethoxypropyl)pyrrolidine

1-(3,3-diethoxypropyl)pyrrolidine (PubChem CID 3783360) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)pyrrolidine.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)pyrrolidine
PubChem CID3783360
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(3,3-diethoxypropyl)pyrrolidine
SMILESCCOC(CCN1CCCC1)OCC
InChIInChI=1S/C11H23NO2/c1-3-13-11(14-4-2)7-10-12-8-5-6-9-12/h11H,3-10H2,1-2H3
InChIKeyAUAATUPVYCPDKE-UHFFFAOYSA-N
XLogP1.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)pyrrolidine?
The IUPAC name of 1-(3,3-diethoxypropyl)pyrrolidine (CID 3783360) is 1-(3,3-diethoxypropyl)pyrrolidine.
What is the SMILES notation for 1-(3,3-diethoxypropyl)pyrrolidine?
The canonical SMILES for 1-(3,3-diethoxypropyl)pyrrolidine is CCOC(CCN1CCCC1)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)pyrrolidine?
The InChIKey is AUAATUPVYCPDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-13-11(14-4-2)7-10-12-8-5-6-9-12/h11H,3-10H2,1-2H3.
What are the key properties of 1-(3,3-diethoxypropyl)pyrrolidine?
1-(3,3-diethoxypropyl)pyrrolidine has a molecular weight of 201.31 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)pyrrolidine is sourced from PubChem (CID 3783360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).