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

C13H24N2O4 — CID 23201031

IUPAC1-(1-hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one
SMILESCC(O)N1CCCC1=O.CCC(O)N1CCCC1=O
InChIInChI=1S/C7H13NO2.C6H11NO2/c1-2-6(9)8-5-3-4-7(8)10;1-5(8)7-4-2-3-6(7)9/h6,9H,2-5H2,1H3;5,8H,2-4H2,1H3
InChIKeyUIWRDXWWRHLNNJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.28
Rot. Bonds3

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

1-(1-hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one (PubChem CID 23201031) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one
PubChem CID23201031
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-(1-hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one
SMILESCC(O)N1CCCC1=O.CCC(O)N1CCCC1=O
InChIInChI=1S/C7H13NO2.C6H11NO2/c1-2-6(9)8-5-3-4-7(8)10;1-5(8)7-4-2-3-6(7)9/h6,9H,2-5H2,1H3;5,8H,2-4H2,1H3
InChIKeyUIWRDXWWRHLNNJ-UHFFFAOYSA-N
XLogP0.28
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one (CID 23201031) is 1-(1-hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one is CC(O)N1CCCC1=O.CCC(O)N1CCCC1=O.
What is the InChIKey of 1-(1-hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one?
The InChIKey is UIWRDXWWRHLNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C6H11NO2/c1-2-6(9)8-5-3-4-7(8)10;1-5(8)7-4-2-3-6(7)9/h6,9H,2-5H2,1H3;5,8H,2-4H2,1H3.
What are the key properties of 1-(1-hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one?
1-(1-hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one has a molecular weight of 272.34 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 23201031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).