1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one

C9H18N2O2 — CID 105442196

IUPAC1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one
SMILESCC(C)N1C(=O)CCN1CCCO
InChIInChI=1S/C9H18N2O2/c1-8(2)11-9(13)4-6-10(11)5-3-7-12/h8,12H,3-7H2,1-2H3
InChIKeyKQOXFMNFWCCENN-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.23
Rot. Bonds4

About 1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one

1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one (PubChem CID 105442196) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one
PubChem CID105442196
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one
SMILESCC(C)N1C(=O)CCN1CCCO
InChIInChI=1S/C9H18N2O2/c1-8(2)11-9(13)4-6-10(11)5-3-7-12/h8,12H,3-7H2,1-2H3
InChIKeyKQOXFMNFWCCENN-UHFFFAOYSA-N
XLogP0.23
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one?
The IUPAC name of 1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one (CID 105442196) is 1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one?
The canonical SMILES for 1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one is CC(C)N1C(=O)CCN1CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one?
The InChIKey is KQOXFMNFWCCENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(2)11-9(13)4-6-10(11)5-3-7-12/h8,12H,3-7H2,1-2H3.
What are the key properties of 1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one?
1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one has a molecular weight of 186.25 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one is sourced from PubChem (CID 105442196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).