4-(methoxymethyl)-1-phenylpyrazolidin-3-one

C11H14N2O2 — CID 14840370

IUPAC4-(methoxymethyl)-1-phenylpyrazolidin-3-one
SMILESCOCC1CN(c2ccccc2)NC1=O
InChIInChI=1S/C11H14N2O2/c1-15-8-9-7-13(12-11(9)14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,14)
InChIKeyFTUMALFXPIWCTM-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.80
Rot. Bonds3

About 4-(methoxymethyl)-1-phenylpyrazolidin-3-one

4-(methoxymethyl)-1-phenylpyrazolidin-3-one (PubChem CID 14840370) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name4-(methoxymethyl)-1-phenylpyrazolidin-3-one
PubChem CID14840370
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-(methoxymethyl)-1-phenylpyrazolidin-3-one
SMILESCOCC1CN(c2ccccc2)NC1=O
InChIInChI=1S/C11H14N2O2/c1-15-8-9-7-13(12-11(9)14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,14)
InChIKeyFTUMALFXPIWCTM-UHFFFAOYSA-N
XLogP0.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-phenylpyrazolidin-3-one?
The IUPAC name of 4-(methoxymethyl)-1-phenylpyrazolidin-3-one (CID 14840370) is 4-(methoxymethyl)-1-phenylpyrazolidin-3-one.
What is the SMILES notation for 4-(methoxymethyl)-1-phenylpyrazolidin-3-one?
The canonical SMILES for 4-(methoxymethyl)-1-phenylpyrazolidin-3-one is COCC1CN(c2ccccc2)NC1=O.
What is the InChIKey of 4-(methoxymethyl)-1-phenylpyrazolidin-3-one?
The InChIKey is FTUMALFXPIWCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-8-9-7-13(12-11(9)14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,14).
What are the key properties of 4-(methoxymethyl)-1-phenylpyrazolidin-3-one?
4-(methoxymethyl)-1-phenylpyrazolidin-3-one has a molecular weight of 206.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-phenylpyrazolidin-3-one is sourced from PubChem (CID 14840370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).