5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione

C9H16N2O2 — CID 24975158

IUPAC5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione
SMILESCC(C)N1CC(C)(C)NC(=O)C1=O
InChIInChI=1S/C9H16N2O2/c1-6(2)11-5-9(3,4)10-7(12)8(11)13/h6H,5H2,1-4H3,(H,10,12)
InChIKeyFRFQGQFQXRDKFD-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.13
Rot. Bonds1

About 5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione

5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione (PubChem CID 24975158) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione.

Molecular Properties

Compound Name5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione
PubChem CID24975158
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione
SMILESCC(C)N1CC(C)(C)NC(=O)C1=O
InChIInChI=1S/C9H16N2O2/c1-6(2)11-5-9(3,4)10-7(12)8(11)13/h6H,5H2,1-4H3,(H,10,12)
InChIKeyFRFQGQFQXRDKFD-UHFFFAOYSA-N
XLogP0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione?
The IUPAC name of 5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione (CID 24975158) is 5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione.
What is the SMILES notation for 5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione?
The canonical SMILES for 5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione is CC(C)N1CC(C)(C)NC(=O)C1=O.
What is the InChIKey of 5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione?
The InChIKey is FRFQGQFQXRDKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(2)11-5-9(3,4)10-7(12)8(11)13/h6H,5H2,1-4H3,(H,10,12).
What are the key properties of 5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione?
5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione has a molecular weight of 184.24 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione is sourced from PubChem (CID 24975158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).