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

C12H23NO3 — CID 133106810

IUPAC5-(3,3-diethoxypropyl)-3-methylpyrrolidin-2-one
SMILESCCOC(CCC1CC(C)C(=O)N1)OCC
InChIInChI=1S/C12H23NO3/c1-4-15-11(16-5-2)7-6-10-8-9(3)12(14)13-10/h9-11H,4-8H2,1-3H3,(H,13,14)
InChIKeyXQYWLWNUAJTHQX-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.69
Rot. Bonds7

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

5-(3,3-diethoxypropyl)-3-methylpyrrolidin-2-one (PubChem CID 133106810) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-(3,3-diethoxypropyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(3,3-diethoxypropyl)-3-methylpyrrolidin-2-one
PubChem CID133106810
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name5-(3,3-diethoxypropyl)-3-methylpyrrolidin-2-one
SMILESCCOC(CCC1CC(C)C(=O)N1)OCC
InChIInChI=1S/C12H23NO3/c1-4-15-11(16-5-2)7-6-10-8-9(3)12(14)13-10/h9-11H,4-8H2,1-3H3,(H,13,14)
InChIKeyXQYWLWNUAJTHQX-UHFFFAOYSA-N
XLogP1.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.69
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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Related Compounds

ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
CID 137349085
5-(3,3-Diethoxypropyl)pyrrolidin-2-one
CID 133106819
Ethyl 6-(2-methyl-5-oxopyrrolidin-3-yl)hexanoate
CID 145705649
5-[2-(1,3-Dioxolan-2-yl)ethyl]pyrrolidin-2-one
CID 13608221
4-Methyl-5-[3-[(tetrahydropyran-2-yl)oxy]propyl]pyrrolidin-2-one
CID 18428541
5-[2-(1,3-Dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one
CID 19369200
5-[1-(1,3-Dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one
CID 19369325
5-[2-[(2-Methylpropan-2-yl)oxymethyl]pentyl]pyrrolidin-2-one
CID 20627186
(4S,5R)-5-[2-(1,3-dioxolan-2-yl)propyl]-4-methylpyrrolidin-2-one
CID 53895288
(4S,5R)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one
CID 54200185
5-[2-(1,3-Dioxolan-2-yl)ethyl]-4-methylpyrrolidin-2-one
CID 57034691
5-[2-[(2-Methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one
CID 58611789

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-diethoxypropyl)-3-methylpyrrolidin-2-one?
The IUPAC name of 5-(3,3-diethoxypropyl)-3-methylpyrrolidin-2-one (CID 133106810) is 5-(3,3-diethoxypropyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(3,3-diethoxypropyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for 5-(3,3-diethoxypropyl)-3-methylpyrrolidin-2-one is CCOC(CCC1CC(C)C(=O)N1)OCC.
What is the InChIKey of 5-(3,3-diethoxypropyl)-3-methylpyrrolidin-2-one?
The InChIKey is XQYWLWNUAJTHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-15-11(16-5-2)7-6-10-8-9(3)12(14)13-10/h9-11H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 5-(3,3-diethoxypropyl)-3-methylpyrrolidin-2-one?
5-(3,3-diethoxypropyl)-3-methylpyrrolidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 1.69, 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)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 133106810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).