1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one

C11H14N2O2 — CID 84674088

IUPAC1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one
SMILESCC(O)c1ccccc1N1CCC(=O)N1
InChIInChI=1S/C11H14N2O2/c1-8(14)9-4-2-3-5-10(9)13-7-6-11(15)12-13/h2-5,8,14H,6-7H2,1H3,(H,12,15)
InChIKeySKXLQZVDSQYKGT-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.98
Rot. Bonds2

About 1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one

1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one (PubChem CID 84674088) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one.

Molecular Properties

Compound Name1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one
PubChem CID84674088
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one
SMILESCC(O)c1ccccc1N1CCC(=O)N1
InChIInChI=1S/C11H14N2O2/c1-8(14)9-4-2-3-5-10(9)13-7-6-11(15)12-13/h2-5,8,14H,6-7H2,1H3,(H,12,15)
InChIKeySKXLQZVDSQYKGT-UHFFFAOYSA-N
XLogP0.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one?
The IUPAC name of 1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one (CID 84674088) is 1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one.
What is the SMILES notation for 1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one?
The canonical SMILES for 1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one is CC(O)c1ccccc1N1CCC(=O)N1.
What is the InChIKey of 1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one?
The InChIKey is SKXLQZVDSQYKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(14)9-4-2-3-5-10(9)13-7-6-11(15)12-13/h2-5,8,14H,6-7H2,1H3,(H,12,15).
What are the key properties of 1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one?
1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one has a molecular weight of 206.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one is sourced from PubChem (CID 84674088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).