2-(2,2-dimethylpropyl)pyrazolidin-3-one

C8H16N2O — CID 105430565

IUPAC2-(2,2-dimethylpropyl)pyrazolidin-3-one
SMILESCC(C)(C)CN1NCCC1=O
InChIInChI=1S/C8H16N2O/c1-8(2,3)6-10-7(11)4-5-9-10/h9H,4-6H2,1-3H3
InChIKeyOPULMINVAWPODV-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.77
Rot. Bonds1

About 2-(2,2-dimethylpropyl)pyrazolidin-3-one

2-(2,2-dimethylpropyl)pyrazolidin-3-one (PubChem CID 105430565) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)pyrazolidin-3-one.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)pyrazolidin-3-one
PubChem CID105430565
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(2,2-dimethylpropyl)pyrazolidin-3-one
SMILESCC(C)(C)CN1NCCC1=O
InChIInChI=1S/C8H16N2O/c1-8(2,3)6-10-7(11)4-5-9-10/h9H,4-6H2,1-3H3
InChIKeyOPULMINVAWPODV-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)pyrazolidin-3-one?
The IUPAC name of 2-(2,2-dimethylpropyl)pyrazolidin-3-one (CID 105430565) is 2-(2,2-dimethylpropyl)pyrazolidin-3-one.
What is the SMILES notation for 2-(2,2-dimethylpropyl)pyrazolidin-3-one?
The canonical SMILES for 2-(2,2-dimethylpropyl)pyrazolidin-3-one is CC(C)(C)CN1NCCC1=O.
What is the InChIKey of 2-(2,2-dimethylpropyl)pyrazolidin-3-one?
The InChIKey is OPULMINVAWPODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2,3)6-10-7(11)4-5-9-10/h9H,4-6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)pyrazolidin-3-one?
2-(2,2-dimethylpropyl)pyrazolidin-3-one has a molecular weight of 156.23 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)pyrazolidin-3-one is sourced from PubChem (CID 105430565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).