2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one

C7H14N2O2 — CID 105430948

IUPAC2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one
SMILESCC1CC(=O)N(CCO)N1C
InChIInChI=1S/C7H14N2O2/c1-6-5-7(11)9(3-4-10)8(6)2/h6,10H,3-5H2,1-2H3
InChIKeyVXPVDORMEIRGPR-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.55
Rot. Bonds2

About 2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one

2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one (PubChem CID 105430948) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one
PubChem CID105430948
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one
SMILESCC1CC(=O)N(CCO)N1C
InChIInChI=1S/C7H14N2O2/c1-6-5-7(11)9(3-4-10)8(6)2/h6,10H,3-5H2,1-2H3
InChIKeyVXPVDORMEIRGPR-UHFFFAOYSA-N
XLogP-0.55
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-4-methylazetidin-2-one
CID 11182619
5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one
CID 105442159
2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one
CID 105452958
1-(hydroxymethyl)-4-methylazetidin-2-one
CID 163686029
2-(3-hydroxypropyl)-5-methyl-1-phenylpyrazolidin-3-one
CID 105494695
1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 63100627
(4R)-1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 170372384
5-ethyl-2-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one
CID 105494697
(4R)-4-methyl-1-methylsulfonylazetidin-2-one
CID 14061022
1,4-bis(2-hydroxyethyl)piperazine-2,5-dione
CID 15646785
1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one
CID 168709345
4-(2-hydroxyethyl)-5-methyl-1,4-diazepan-2-one
CID 19841685

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one (CID 105430948) is 2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one is CC1CC(=O)N(CCO)N1C.
What is the InChIKey of 2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one?
The InChIKey is VXPVDORMEIRGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6-5-7(11)9(3-4-10)8(6)2/h6,10H,3-5H2,1-2H3.
What are the key properties of 2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one?
2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one has a molecular weight of 158.20 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one is sourced from PubChem (CID 105430948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).