1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one

C9H17N3O — CID 105440757

IUPAC1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one
SMILESNCCN1CCC(=O)N1C1CCC1
InChIInChI=1S/C9H17N3O/c10-5-7-11-6-4-9(13)12(11)8-2-1-3-8/h8H,1-7,10H2
InChIKeyPXXHLJSIKYLDMC-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.05
Rot. Bonds3

About 1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one

1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one (PubChem CID 105440757) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one
PubChem CID105440757
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one
SMILESNCCN1CCC(=O)N1C1CCC1
InChIInChI=1S/C9H17N3O/c10-5-7-11-6-4-9(13)12(11)8-2-1-3-8/h8H,1-7,10H2
InChIKeyPXXHLJSIKYLDMC-UHFFFAOYSA-N
XLogP-0.05
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63630601
2-(2-aminoethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
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2-cyclopropyl-1-piperidin-3-ylpyrazolidin-3-one
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CID 105465361
6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one
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1-(2-aminoethyl)piperidin-3-one;hydrochloride
CID 115015277
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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one?
The IUPAC name of 1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one (CID 105440757) is 1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one.
What is the SMILES notation for 1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one?
The canonical SMILES for 1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one is NCCN1CCC(=O)N1C1CCC1.
What is the InChIKey of 1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one?
The InChIKey is PXXHLJSIKYLDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c10-5-7-11-6-4-9(13)12(11)8-2-1-3-8/h8H,1-7,10H2.
What are the key properties of 1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one?
1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one has a molecular weight of 183.25 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one is sourced from PubChem (CID 105440757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).