2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one

C13H17N3O — CID 105489840

IUPAC2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one
SMILESNc1ccccc1N1NC(C2CCC2)CC1=O
InChIInChI=1S/C13H17N3O/c14-10-6-1-2-7-12(10)16-13(17)8-11(15-16)9-4-3-5-9/h1-2,6-7,9,11,15H,3-5,8,14H2
InChIKeyGTXDOGJWHZPXFU-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.68
Rot. Bonds2

About 2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one

2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one (PubChem CID 105489840) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one.

Molecular Properties

Compound Name2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one
PubChem CID105489840
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one
SMILESNc1ccccc1N1NC(C2CCC2)CC1=O
InChIInChI=1S/C13H17N3O/c14-10-6-1-2-7-12(10)16-13(17)8-11(15-16)9-4-3-5-9/h1-2,6-7,9,11,15H,3-5,8,14H2
InChIKeyGTXDOGJWHZPXFU-UHFFFAOYSA-N
XLogP1.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one
CID 105489843
1-(2-aminophenyl)azepane-2,7-dione
CID 43446671
(7aR)-2-(2-aminophenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 99975137
1-(2-aminophenyl)imidazolidine-2,4-dione
CID 83818017
4-amino-1-(2-chlorophenyl)piperidin-2-one
CID 83642987
1-(2-aminophenyl)-4,4-dimethylimidazolidin-2-one
CID 105457673
(5R)-3-(2-aminophenyl)-5-methylimidazolidine-2,4-dione
CID 51983917
methanamine;2-pyrrolidin-1-ylaniline
CID 143665772
4-(2-aminophenyl)morpholine-3,5-dione
CID 61326987
1-(2-aminophenyl)-5-methylimidazolidin-2-one
CID 105445057
3-(2-aminophenyl)-8-hydroxy-3-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,4,10-trione
CID 23072378
5-cyclohexyl-2-(2-hydroxyethyl)pyrazolidin-3-one
CID 105466158

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one?
The IUPAC name of 2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one (CID 105489840) is 2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one.
What is the SMILES notation for 2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one?
The canonical SMILES for 2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one is Nc1ccccc1N1NC(C2CCC2)CC1=O.
What is the InChIKey of 2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one?
The InChIKey is GTXDOGJWHZPXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-10-6-1-2-7-12(10)16-13(17)8-11(15-16)9-4-3-5-9/h1-2,6-7,9,11,15H,3-5,8,14H2.
What are the key properties of 2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one?
2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one has a molecular weight of 231.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one is sourced from PubChem (CID 105489840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).