1,2-diacetylpyrazolidin-3-one

C7H10N2O3 — CID 45086530

IUPAC1,2-diacetylpyrazolidin-3-one
SMILESCC(=O)N1CCC(=O)N1C(C)=O
InChIInChI=1S/C7H10N2O3/c1-5(10)8-4-3-7(12)9(8)6(2)11/h3-4H2,1-2H3
InChIKeyWFWNHPMRDQDHJN-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.47
Rot. Bonds

About 1,2-diacetylpyrazolidin-3-one

1,2-diacetylpyrazolidin-3-one (PubChem CID 45086530) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1,2-diacetylpyrazolidin-3-one.

Molecular Properties

Compound Name1,2-diacetylpyrazolidin-3-one
PubChem CID45086530
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1,2-diacetylpyrazolidin-3-one
SMILESCC(=O)N1CCC(=O)N1C(C)=O
InChIInChI=1S/C7H10N2O3/c1-5(10)8-4-3-7(12)9(8)6(2)11/h3-4H2,1-2H3
InChIKeyWFWNHPMRDQDHJN-UHFFFAOYSA-N
XLogP-0.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-diacetylpyrazolidin-3-one?
The IUPAC name of 1,2-diacetylpyrazolidin-3-one (CID 45086530) is 1,2-diacetylpyrazolidin-3-one.
What is the SMILES notation for 1,2-diacetylpyrazolidin-3-one?
The canonical SMILES for 1,2-diacetylpyrazolidin-3-one is CC(=O)N1CCC(=O)N1C(C)=O.
What is the InChIKey of 1,2-diacetylpyrazolidin-3-one?
The InChIKey is WFWNHPMRDQDHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5(10)8-4-3-7(12)9(8)6(2)11/h3-4H2,1-2H3.
What are the key properties of 1,2-diacetylpyrazolidin-3-one?
1,2-diacetylpyrazolidin-3-one has a molecular weight of 170.17 g/mol, XLogP of -0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diacetylpyrazolidin-3-one is sourced from PubChem (CID 45086530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).