1-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one

C14H24N2O3 — CID 67624832

IUPAC1-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCCOCCN1CCCC1=O
InChIInChI=1S/C14H24N2O3/c17-13-5-3-8-15(13)7-1-2-11-19-12-10-16-9-4-6-14(16)18/h1-12H2
InChIKeyZCOZQLBZLSTKHK-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.03
Rot. Bonds8

About 1-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one

1-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one (PubChem CID 67624832) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one
PubChem CID67624832
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCCOCCN1CCCC1=O
InChIInChI=1S/C14H24N2O3/c17-13-5-3-8-15(13)7-1-2-11-19-12-10-16-9-4-6-14(16)18/h1-12H2
InChIKeyZCOZQLBZLSTKHK-UHFFFAOYSA-N
XLogP1.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one (CID 67624832) is 1-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one is O=C1CCCN1CCCCOCCN1CCCC1=O.
What is the InChIKey of 1-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one?
The InChIKey is ZCOZQLBZLSTKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13-5-3-8-15(13)7-1-2-11-19-12-10-16-9-4-6-14(16)18/h1-12H2.
What are the key properties of 1-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one?
1-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 1.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one is sourced from PubChem (CID 67624832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).