2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one

C11H22N2O2 — CID 105468014

IUPAC2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one
SMILESCC(C)CN1CCC(=O)N1CCC(C)O
InChIInChI=1S/C11H22N2O2/c1-9(2)8-12-6-5-11(15)13(12)7-4-10(3)14/h9-10,14H,4-8H2,1-3H3
InChIKeyPKWPTUDKZHAKFC-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.86
Rot. Bonds5

About 2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one

2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one (PubChem CID 105468014) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one.

Molecular Properties

Compound Name2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one
PubChem CID105468014
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one
SMILESCC(C)CN1CCC(=O)N1CCC(C)O
InChIInChI=1S/C11H22N2O2/c1-9(2)8-12-6-5-11(15)13(12)7-4-10(3)14/h9-10,14H,4-8H2,1-3H3
InChIKeyPKWPTUDKZHAKFC-UHFFFAOYSA-N
XLogP0.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one
CID 105435195
2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid
CID 105452768
3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid
CID 105452750
1-(2-amino-2-methylpropyl)-2-(2-methylpropyl)pyrazolidin-3-one
CID 105467132
1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one
CID 105467991
1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one
CID 105467990
2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid
CID 105467640
2-(3-aminobutyl)-1-ethyldiazinan-3-one
CID 105452412
2-(2-hydroxy-2-methylpropyl)-1-propylpyrazolidin-3-one
CID 105453030
2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one
CID 105442203
4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione
CID 143206190
1,4,7,10-tetrakis(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 146611403

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one?
The IUPAC name of 2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one (CID 105468014) is 2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one.
What is the SMILES notation for 2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one?
The canonical SMILES for 2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one is CC(C)CN1CCC(=O)N1CCC(C)O.
What is the InChIKey of 2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one?
The InChIKey is PKWPTUDKZHAKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)8-12-6-5-11(15)13(12)7-4-10(3)14/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one?
2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one has a molecular weight of 214.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one is sourced from PubChem (CID 105468014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).