1-benzoyl-5-methylpyrazolidin-3-one

C11H12N2O2 — CID 3377198

IUPAC1-benzoyl-5-methylpyrazolidin-3-one
SMILESCC1CC(=O)NN1C(=O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-8-7-10(14)12-13(8)11(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,14)
InChIKeyCUJBWTIBNVCARP-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.95
Rot. Bonds1

About 1-benzoyl-5-methylpyrazolidin-3-one

1-benzoyl-5-methylpyrazolidin-3-one (PubChem CID 3377198) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-benzoyl-5-methylpyrazolidin-3-one.

Molecular Properties

Compound Name1-benzoyl-5-methylpyrazolidin-3-one
PubChem CID3377198
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-benzoyl-5-methylpyrazolidin-3-one
SMILESCC1CC(=O)NN1C(=O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-8-7-10(14)12-13(8)11(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,14)
InChIKeyCUJBWTIBNVCARP-UHFFFAOYSA-N
XLogP0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-5-methylpyrazolidin-3-one?
The IUPAC name of 1-benzoyl-5-methylpyrazolidin-3-one (CID 3377198) is 1-benzoyl-5-methylpyrazolidin-3-one.
What is the SMILES notation for 1-benzoyl-5-methylpyrazolidin-3-one?
The canonical SMILES for 1-benzoyl-5-methylpyrazolidin-3-one is CC1CC(=O)NN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-5-methylpyrazolidin-3-one?
The InChIKey is CUJBWTIBNVCARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-7-10(14)12-13(8)11(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,14).
What are the key properties of 1-benzoyl-5-methylpyrazolidin-3-one?
1-benzoyl-5-methylpyrazolidin-3-one has a molecular weight of 204.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-5-methylpyrazolidin-3-one is sourced from PubChem (CID 3377198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).