1,2,4,4-tetramethylpyrazolidin-3-one

C7H14N2O — CID 54403785

IUPAC1,2,4,4-tetramethylpyrazolidin-3-one
SMILESCN1CC(C)(C)C(=O)N1C
InChIInChI=1S/C7H14N2O/c1-7(2)5-8(3)9(4)6(7)10/h5H2,1-4H3
InChIKeyVPFWKSHMVYBGCT-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.33
Rot. Bonds

About 1,2,4,4-tetramethylpyrazolidin-3-one

1,2,4,4-tetramethylpyrazolidin-3-one (PubChem CID 54403785) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1,2,4,4-tetramethylpyrazolidin-3-one.

Molecular Properties

Compound Name1,2,4,4-tetramethylpyrazolidin-3-one
PubChem CID54403785
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1,2,4,4-tetramethylpyrazolidin-3-one
SMILESCN1CC(C)(C)C(=O)N1C
InChIInChI=1S/C7H14N2O/c1-7(2)5-8(3)9(4)6(7)10/h5H2,1-4H3
InChIKeyVPFWKSHMVYBGCT-UHFFFAOYSA-N
XLogP0.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,4-tetramethylpyrazolidin-3-one?
The IUPAC name of 1,2,4,4-tetramethylpyrazolidin-3-one (CID 54403785) is 1,2,4,4-tetramethylpyrazolidin-3-one.
What is the SMILES notation for 1,2,4,4-tetramethylpyrazolidin-3-one?
The canonical SMILES for 1,2,4,4-tetramethylpyrazolidin-3-one is CN1CC(C)(C)C(=O)N1C.
What is the InChIKey of 1,2,4,4-tetramethylpyrazolidin-3-one?
The InChIKey is VPFWKSHMVYBGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(2)5-8(3)9(4)6(7)10/h5H2,1-4H3.
What are the key properties of 1,2,4,4-tetramethylpyrazolidin-3-one?
1,2,4,4-tetramethylpyrazolidin-3-one has a molecular weight of 142.20 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,4-tetramethylpyrazolidin-3-one is sourced from PubChem (CID 54403785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).