1,2-dimethylpyrazolidin-3-one;ethane

C7H16N2O — CID 123654177

IUPAC1,2-dimethylpyrazolidin-3-one;ethane
SMILESCC.CN1CCC(=O)N1C
InChIInChI=1S/C5H10N2O.C2H6/c1-6-4-3-5(8)7(6)2;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyCPMKRHWSTZCSGD-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.72
Rot. Bonds

About 1,2-dimethylpyrazolidin-3-one;ethane

1,2-dimethylpyrazolidin-3-one;ethane (PubChem CID 123654177) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1,2-dimethylpyrazolidin-3-one;ethane.

Molecular Properties

Compound Name1,2-dimethylpyrazolidin-3-one;ethane
PubChem CID123654177
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1,2-dimethylpyrazolidin-3-one;ethane
SMILESCC.CN1CCC(=O)N1C
InChIInChI=1S/C5H10N2O.C2H6/c1-6-4-3-5(8)7(6)2;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyCPMKRHWSTZCSGD-UHFFFAOYSA-N
XLogP0.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrazolidin-3-one;ethane?
The IUPAC name of 1,2-dimethylpyrazolidin-3-one;ethane (CID 123654177) is 1,2-dimethylpyrazolidin-3-one;ethane.
What is the SMILES notation for 1,2-dimethylpyrazolidin-3-one;ethane?
The canonical SMILES for 1,2-dimethylpyrazolidin-3-one;ethane is CC.CN1CCC(=O)N1C.
What is the InChIKey of 1,2-dimethylpyrazolidin-3-one;ethane?
The InChIKey is CPMKRHWSTZCSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C2H6/c1-6-4-3-5(8)7(6)2;1-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of 1,2-dimethylpyrazolidin-3-one;ethane?
1,2-dimethylpyrazolidin-3-one;ethane has a molecular weight of 144.22 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrazolidin-3-one;ethane is sourced from PubChem (CID 123654177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).