2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one

C11H21N3O — CID 105465361

IUPAC2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one
SMILESCC(N)CN1C(=O)CCN1C1CCCC1
InChIInChI=1S/C11H21N3O/c1-9(12)8-14-11(15)6-7-13(14)10-4-2-3-5-10/h9-10H,2-8,12H2,1H3
InChIKeyXEESVHJISBJVSW-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.73
Rot. Bonds3

About 2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one

2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one (PubChem CID 105465361) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one.

Molecular Properties

Compound Name2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one
PubChem CID105465361
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one
SMILESCC(N)CN1C(=O)CCN1C1CCCC1
InChIInChI=1S/C11H21N3O/c1-9(12)8-14-11(15)6-7-13(14)10-4-2-3-5-10/h9-10H,2-8,12H2,1H3
InChIKeyXEESVHJISBJVSW-UHFFFAOYSA-N
XLogP0.73
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one?
The IUPAC name of 2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one (CID 105465361) is 2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one.
What is the SMILES notation for 2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one?
The canonical SMILES for 2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one is CC(N)CN1C(=O)CCN1C1CCCC1.
What is the InChIKey of 2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one?
The InChIKey is XEESVHJISBJVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(12)8-14-11(15)6-7-13(14)10-4-2-3-5-10/h9-10H,2-8,12H2,1H3.
What are the key properties of 2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one?
2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one has a molecular weight of 211.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one is sourced from PubChem (CID 105465361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).