1-benzylpyrazolidin-3-one

C10H12N2O — CID 4637348

IUPAC1-benzylpyrazolidin-3-one
SMILESO=C1CCN(Cc2ccccc2)N1
InChIInChI=1S/C10H12N2O/c13-10-6-7-12(11-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)
InChIKeyNDZNPLRKGDSLQX-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.92
Rot. Bonds2

About 1-benzylpyrazolidin-3-one

1-benzylpyrazolidin-3-one (PubChem CID 4637348) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-benzylpyrazolidin-3-one.

Molecular Properties

Compound Name1-benzylpyrazolidin-3-one
PubChem CID4637348
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-benzylpyrazolidin-3-one
SMILESO=C1CCN(Cc2ccccc2)N1
InChIInChI=1S/C10H12N2O/c13-10-6-7-12(11-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)
InChIKeyNDZNPLRKGDSLQX-UHFFFAOYSA-N
XLogP0.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrazolidin-3-one?
The IUPAC name of 1-benzylpyrazolidin-3-one (CID 4637348) is 1-benzylpyrazolidin-3-one.
What is the SMILES notation for 1-benzylpyrazolidin-3-one?
The canonical SMILES for 1-benzylpyrazolidin-3-one is O=C1CCN(Cc2ccccc2)N1.
What is the InChIKey of 1-benzylpyrazolidin-3-one?
The InChIKey is NDZNPLRKGDSLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-10-6-7-12(11-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13).
What are the key properties of 1-benzylpyrazolidin-3-one?
1-benzylpyrazolidin-3-one has a molecular weight of 176.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyrazolidin-3-one is sourced from PubChem (CID 4637348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).