5-(3,3-diethoxypropyl)pyrrolidin-2-one

C11H21NO3 — CID 133106819

IUPAC5-(3,3-diethoxypropyl)pyrrolidin-2-one
SMILESCCOC(CCC1CCC(=O)N1)OCC
InChIInChI=1S/C11H21NO3/c1-3-14-11(15-4-2)8-6-9-5-7-10(13)12-9/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyPSPCEKFLJCEDJW-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.44
Rot. Bonds7

About 5-(3,3-diethoxypropyl)pyrrolidin-2-one

5-(3,3-diethoxypropyl)pyrrolidin-2-one (PubChem CID 133106819) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-(3,3-diethoxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(3,3-diethoxypropyl)pyrrolidin-2-one
PubChem CID133106819
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name5-(3,3-diethoxypropyl)pyrrolidin-2-one
SMILESCCOC(CCC1CCC(=O)N1)OCC
InChIInChI=1S/C11H21NO3/c1-3-14-11(15-4-2)8-6-9-5-7-10(13)12-9/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyPSPCEKFLJCEDJW-UHFFFAOYSA-N
XLogP1.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
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 5-(3,3-diethoxypropyl)pyrrolidin-2-one?
The IUPAC name of 5-(3,3-diethoxypropyl)pyrrolidin-2-one (CID 133106819) is 5-(3,3-diethoxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(3,3-diethoxypropyl)pyrrolidin-2-one?
The canonical SMILES for 5-(3,3-diethoxypropyl)pyrrolidin-2-one is CCOC(CCC1CCC(=O)N1)OCC.
What is the InChIKey of 5-(3,3-diethoxypropyl)pyrrolidin-2-one?
The InChIKey is PSPCEKFLJCEDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-14-11(15-4-2)8-6-9-5-7-10(13)12-9/h9,11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 5-(3,3-diethoxypropyl)pyrrolidin-2-one?
5-(3,3-diethoxypropyl)pyrrolidin-2-one has a molecular weight of 215.29 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-diethoxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 133106819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).