1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one

C10H13N3O2 — CID 117295796

IUPAC1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one
SMILESNOCc1ccc(N2CCC(=O)N2)cc1
InChIInChI=1S/C10H13N3O2/c11-15-7-8-1-3-9(4-2-8)13-6-5-10(14)12-13/h1-4H,5-7,11H2,(H,12,14)
InChIKeySFHREUPCMWVVDB-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.32
Rot. Bonds3

About 1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one

1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one (PubChem CID 117295796) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one.

Molecular Properties

Compound Name1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one
PubChem CID117295796
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one
SMILESNOCc1ccc(N2CCC(=O)N2)cc1
InChIInChI=1S/C10H13N3O2/c11-15-7-8-1-3-9(4-2-8)13-6-5-10(14)12-13/h1-4H,5-7,11H2,(H,12,14)
InChIKeySFHREUPCMWVVDB-UHFFFAOYSA-N
XLogP0.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.32
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one?
The IUPAC name of 1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one (CID 117295796) is 1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one.
What is the SMILES notation for 1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one?
The canonical SMILES for 1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one is NOCc1ccc(N2CCC(=O)N2)cc1.
What is the InChIKey of 1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one?
The InChIKey is SFHREUPCMWVVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-15-7-8-1-3-9(4-2-8)13-6-5-10(14)12-13/h1-4H,5-7,11H2,(H,12,14).
What are the key properties of 1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one?
1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one has a molecular weight of 207.23 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminooxymethyl)phenyl]pyrazolidin-3-one is sourced from PubChem (CID 117295796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).