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

C11H15N3O2 — CID 117315868

IUPAC1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one
SMILESNOCCc1cccc(N2CCC(=O)N2)c1
InChIInChI=1S/C11H15N3O2/c12-16-7-5-9-2-1-3-10(8-9)14-6-4-11(15)13-14/h1-3,8H,4-7,12H2,(H,13,15)
InChIKeyFKOUSCAYZVEEMS-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.36
Rot. Bonds4

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

1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one (PubChem CID 117315868) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one.

Molecular Properties

Compound Name1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one
PubChem CID117315868
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one
SMILESNOCCc1cccc(N2CCC(=O)N2)c1
InChIInChI=1S/C11H15N3O2/c12-16-7-5-9-2-1-3-10(8-9)14-6-4-11(15)13-14/h1-3,8H,4-7,12H2,(H,13,15)
InChIKeyFKOUSCAYZVEEMS-UHFFFAOYSA-N
XLogP0.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one
CID 117295796
1-(3-fluorophenyl)pyrazolidin-3-one
CID 70478682
1-(3-butoxyphenyl)pyrazolidin-3-one
CID 13012229
1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one
CID 117365583
O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine
CID 117293696
sodium;1-phenylpyrazolidin-3-one;bromide
CID 157299139
O-[2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]hydroxylamine
CID 117413751
1-[3-(3-oxopyrazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117404697
1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one
CID 117438738
dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite
CID 70251505
3-(2-aminooxyethyl)phenol
CID 83479668
1-(4-phenoxyphenyl)pyrazolidin-3-one
CID 131842540

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one?
The IUPAC name of 1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one (CID 117315868) is 1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one.
What is the SMILES notation for 1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one?
The canonical SMILES for 1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one is NOCCc1cccc(N2CCC(=O)N2)c1.
What is the InChIKey of 1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one?
The InChIKey is FKOUSCAYZVEEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-16-7-5-9-2-1-3-10(8-9)14-6-4-11(15)13-14/h1-3,8H,4-7,12H2,(H,13,15).
What are the key properties of 1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one?
1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one has a molecular weight of 221.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one is sourced from PubChem (CID 117315868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).