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

C12H24N2O3 — CID 69477881

IUPAC1-(2-hydroxyethyl)pyrrolidin-2-one;2-pyrrolidin-1-ylethanol
SMILESO=C1CCCN1CCO.OCCN1CCCC1
InChIInChI=1S/C6H11NO2.C6H13NO/c8-5-4-7-3-1-2-6(7)9;8-6-5-7-3-1-2-4-7/h8H,1-5H2;8H,1-6H2
InChIKeyVMLBGXVYOWQRIA-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.32
Rot. Bonds4

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

1-(2-hydroxyethyl)pyrrolidin-2-one;2-pyrrolidin-1-ylethanol (PubChem CID 69477881) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)pyrrolidin-2-one;2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name1-(2-hydroxyethyl)pyrrolidin-2-one;2-pyrrolidin-1-ylethanol
PubChem CID69477881
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-(2-hydroxyethyl)pyrrolidin-2-one;2-pyrrolidin-1-ylethanol
SMILESO=C1CCCN1CCO.OCCN1CCCC1
InChIInChI=1S/C6H11NO2.C6H13NO/c8-5-4-7-3-1-2-6(7)9;8-6-5-7-3-1-2-4-7/h8H,1-5H2;8H,1-6H2
InChIKeyVMLBGXVYOWQRIA-UHFFFAOYSA-N
XLogP-0.32
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)pyrrolidin-2-one;2-pyrrolidin-1-ylethanol?
The IUPAC name of 1-(2-hydroxyethyl)pyrrolidin-2-one;2-pyrrolidin-1-ylethanol (CID 69477881) is 1-(2-hydroxyethyl)pyrrolidin-2-one;2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 1-(2-hydroxyethyl)pyrrolidin-2-one;2-pyrrolidin-1-ylethanol?
The canonical SMILES for 1-(2-hydroxyethyl)pyrrolidin-2-one;2-pyrrolidin-1-ylethanol is O=C1CCCN1CCO.OCCN1CCCC1.
What is the InChIKey of 1-(2-hydroxyethyl)pyrrolidin-2-one;2-pyrrolidin-1-ylethanol?
The InChIKey is VMLBGXVYOWQRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C6H13NO/c8-5-4-7-3-1-2-6(7)9;8-6-5-7-3-1-2-4-7/h8H,1-5H2;8H,1-6H2.
What are the key properties of 1-(2-hydroxyethyl)pyrrolidin-2-one;2-pyrrolidin-1-ylethanol?
1-(2-hydroxyethyl)pyrrolidin-2-one;2-pyrrolidin-1-ylethanol has a molecular weight of 244.33 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)pyrrolidin-2-one;2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 69477881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).