2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one

C10H20N2O2 — CID 105453030

IUPAC2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one
SMILESCCCN1CCC(=O)N1CC(C)(C)O
InChIInChI=1S/C10H20N2O2/c1-4-6-11-7-5-9(13)12(11)8-10(2,3)14/h14H,4-8H2,1-3H3
InChIKeyRPNRUONXHNYYJX-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.62
Rot. Bonds4

About 2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one

2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one (PubChem CID 105453030) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one
PubChem CID105453030
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one
SMILESCCCN1CCC(=O)N1CC(C)(C)O
InChIInChI=1S/C10H20N2O2/c1-4-6-11-7-5-9(13)12(11)8-10(2,3)14/h14H,4-8H2,1-3H3
InChIKeyRPNRUONXHNYYJX-UHFFFAOYSA-N
XLogP0.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one
CID 105468011
1-(2-amino-2-methylpropyl)-2-(2-methylpropyl)pyrazolidin-3-one
CID 105467132
1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 63102254
1-(2-hydroxy-2-methylpropyl)piperidin-2-one
CID 83816285
2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one
CID 105468014
1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione
CID 79942754
1-(2-hydroxy-2-methylpropyl)-5-methyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one
CID 70655718
3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid
CID 105452750
1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one
CID 105435195
3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione
CID 83817541
1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one
CID 105467991
2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid
CID 105452768

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one?
The IUPAC name of 2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one (CID 105453030) is 2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one.
What is the SMILES notation for 2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one?
The canonical SMILES for 2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one is CCCN1CCC(=O)N1CC(C)(C)O.
What is the InChIKey of 2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one?
The InChIKey is RPNRUONXHNYYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-6-11-7-5-9(13)12(11)8-10(2,3)14/h14H,4-8H2,1-3H3.
What are the key properties of 2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one?
2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one has a molecular weight of 200.28 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one is sourced from PubChem (CID 105453030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).