2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one

C8H17N3O — CID 105434817

IUPAC2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one
SMILESCC(N)CN1NC(C)(C)CC1=O
InChIInChI=1S/C8H17N3O/c1-6(9)5-11-7(12)4-8(2,3)10-11/h6,10H,4-5,9H2,1-3H3
InChIKeyJBSBKRQHOZMKCE-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.15
Rot. Bonds2

About 2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one

2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one (PubChem CID 105434817) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one.

Molecular Properties

Compound Name2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one
PubChem CID105434817
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one
SMILESCC(N)CN1NC(C)(C)CC1=O
InChIInChI=1S/C8H17N3O/c1-6(9)5-11-7(12)4-8(2,3)10-11/h6,10H,4-5,9H2,1-3H3
InChIKeyJBSBKRQHOZMKCE-UHFFFAOYSA-N
XLogP-0.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropyl)-1,2-diazaspiro[4.5]decan-3-one
CID 105465244
2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one
CID 105452383
1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione
CID 30813187
4-(2-aminopropyl)piperazine-2,6-dione
CID 102689066
3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 55228574
1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one
CID 103934843
2-(2-aminopropyl)-5-cyclopropyl-1,5-dimethylpyrazolidin-3-one
CID 105465242
1-[(2S)-2-aminopropyl]piperidine-2,6-dione
CID 93050253
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18070377
2-(2-aminopropyl)-1,8-dioxa-2-azaspiro[4.5]decan-3-one
CID 105467615
2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one
CID 105452385
1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 65298071

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one?
The IUPAC name of 2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one (CID 105434817) is 2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one.
What is the SMILES notation for 2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one?
The canonical SMILES for 2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one is CC(N)CN1NC(C)(C)CC1=O.
What is the InChIKey of 2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one?
The InChIKey is JBSBKRQHOZMKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(9)5-11-7(12)4-8(2,3)10-11/h6,10H,4-5,9H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one?
2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one has a molecular weight of 171.24 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one is sourced from PubChem (CID 105434817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).