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

C11H18N2O3 — CID 57384622

IUPAC1-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOCN1CCCC1=O
InChIInChI=1S/C11H18N2O3/c14-10-3-1-5-12(10)7-8-16-9-13-6-2-4-11(13)15/h1-9H2
InChIKeyZMWVETKXBUQDFE-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.21
Rot. Bonds5

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

1-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one (PubChem CID 57384622) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one
PubChem CID57384622
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOCN1CCCC1=O
InChIInChI=1S/C11H18N2O3/c14-10-3-1-5-12(10)7-8-16-9-13-6-2-4-11(13)15/h1-9H2
InChIKeyZMWVETKXBUQDFE-UHFFFAOYSA-N
XLogP0.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.21
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-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one (CID 57384622) is 1-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one is O=C1CCCN1CCOCN1CCCC1=O.
What is the InChIKey of 1-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one?
The InChIKey is ZMWVETKXBUQDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10-3-1-5-12(10)7-8-16-9-13-6-2-4-11(13)15/h1-9H2.
What are the key properties of 1-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one?
1-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one has a molecular weight of 226.28 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 57384622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).