5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one

C10H18N2O — CID 14812560

IUPAC5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one
SMILESCC(C)=CCN1NC(=O)CC1(C)C
InChIInChI=1S/C10H18N2O/c1-8(2)5-6-12-10(3,4)7-9(13)11-12/h5H,6-7H2,1-4H3,(H,11,13)
InChIKeyGJCLLIZTVQXBLA-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.47
Rot. Bonds2

About 5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one

5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one (PubChem CID 14812560) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one.

Molecular Properties

Compound Name5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one
PubChem CID14812560
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one
SMILESCC(C)=CCN1NC(=O)CC1(C)C
InChIInChI=1S/C10H18N2O/c1-8(2)5-6-12-10(3,4)7-9(13)11-12/h5H,6-7H2,1-4H3,(H,11,13)
InChIKeyGJCLLIZTVQXBLA-UHFFFAOYSA-N
XLogP1.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one?
The IUPAC name of 5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one (CID 14812560) is 5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one.
What is the SMILES notation for 5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one?
The canonical SMILES for 5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one is CC(C)=CCN1NC(=O)CC1(C)C.
What is the InChIKey of 5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one?
The InChIKey is GJCLLIZTVQXBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)5-6-12-10(3,4)7-9(13)11-12/h5H,6-7H2,1-4H3,(H,11,13).
What are the key properties of 5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one?
5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one has a molecular weight of 182.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one is sourced from PubChem (CID 14812560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).