1-[2-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one

C15H26N2O4 — CID 15228854

IUPAC1-[2-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one
SMILESCC(COCCOCCN1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C15H26N2O4/c1-13(17-7-3-5-15(17)19)12-21-11-10-20-9-8-16-6-2-4-14(16)18/h13H,2-12H2,1H3
InChIKeyAHYMKWWYUDPGGR-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.65
Rot. Bonds9

About 1-[2-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one

1-[2-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one (PubChem CID 15228854) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one
PubChem CID15228854
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[2-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one
SMILESCC(COCCOCCN1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C15H26N2O4/c1-13(17-7-3-5-15(17)19)12-21-11-10-20-9-8-16-6-2-4-14(16)18/h13H,2-12H2,1H3
InChIKeyAHYMKWWYUDPGGR-UHFFFAOYSA-N
XLogP0.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one (CID 15228854) is 1-[2-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one is CC(COCCOCCN1CCCC1=O)N1CCCC1=O.
What is the InChIKey of 1-[2-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one?
The InChIKey is AHYMKWWYUDPGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-13(17-7-3-5-15(17)19)12-21-11-10-20-9-8-16-6-2-4-14(16)18/h13H,2-12H2,1H3.
What are the key properties of 1-[2-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one?
1-[2-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one has a molecular weight of 298.38 g/mol, XLogP of 0.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 15228854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).