1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one

C10H20N2O — CID 176833447

IUPAC1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one
SMILESCC1CC(C(=O)C(C)(C)C)N(C)N1
InChIInChI=1S/C10H20N2O/c1-7-6-8(12(5)11-7)9(13)10(2,3)4/h7-8,11H,6H2,1-5H3
InChIKeyJZLJEDRIVDCMAV-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.20
Rot. Bonds1

About 1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one

1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one (PubChem CID 176833447) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one
PubChem CID176833447
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one
SMILESCC1CC(C(=O)C(C)(C)C)N(C)N1
InChIInChI=1S/C10H20N2O/c1-7-6-8(12(5)11-7)9(13)10(2,3)4/h7-8,11H,6H2,1-5H3
InChIKeyJZLJEDRIVDCMAV-UHFFFAOYSA-N
XLogP1.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one (CID 176833447) is 1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one is CC1CC(C(=O)C(C)(C)C)N(C)N1.
What is the InChIKey of 1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one?
The InChIKey is JZLJEDRIVDCMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7-6-8(12(5)11-7)9(13)10(2,3)4/h7-8,11H,6H2,1-5H3.
What are the key properties of 1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one?
1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one has a molecular weight of 184.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176833447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).