1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one

C12H22N2O3 — CID 22728372

IUPAC1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one
SMILESCCN1CCCC1=O.O=C1CCCN1CCO
InChIInChI=1S/C6H11NO2.C6H11NO/c8-5-4-7-3-1-2-6(7)9;1-2-7-5-3-4-6(7)8/h8H,1-5H2;2-5H2,1H3
InChIKeyIEBFTRNJSLCXFF-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.23
Rot. Bonds3

About 1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one

1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one (PubChem CID 22728372) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one
PubChem CID22728372
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one
SMILESCCN1CCCC1=O.O=C1CCCN1CCO
InChIInChI=1S/C6H11NO2.C6H11NO/c8-5-4-7-3-1-2-6(7)9;1-2-7-5-3-4-6(7)8/h8H,1-5H2;2-5H2,1H3
InChIKeyIEBFTRNJSLCXFF-UHFFFAOYSA-N
XLogP0.23
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one?
The IUPAC name of 1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one (CID 22728372) is 1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one?
The canonical SMILES for 1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one is CCN1CCCC1=O.O=C1CCCN1CCO.
What is the InChIKey of 1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one?
The InChIKey is IEBFTRNJSLCXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C6H11NO/c8-5-4-7-3-1-2-6(7)9;1-2-7-5-3-4-6(7)8/h8H,1-5H2;2-5H2,1H3.
What are the key properties of 1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one?
1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one has a molecular weight of 242.32 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidin-2-one;1-(2-hydroxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 22728372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).