1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C8H14N2O2 — CID 83084913

IUPAC1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(N)C1=O
InChIInChI=1S/C8H14N2O2/c1-5(2)8(3)4-6(11)10(9)7(8)12/h5H,4,9H2,1-3H3
InChIKeyOLOYZNUVXYEZNB-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.28
Rot. Bonds1

About 1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 83084913) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID83084913
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(N)C1=O
InChIInChI=1S/C8H14N2O2/c1-5(2)8(3)4-6(11)10(9)7(8)12/h5H,4,9H2,1-3H3
InChIKeyOLOYZNUVXYEZNB-UHFFFAOYSA-N
XLogP0.28
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 83084913) is 1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1(C)CC(=O)N(N)C1=O.
What is the InChIKey of 1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is OLOYZNUVXYEZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5(2)8(3)4-6(11)10(9)7(8)12/h5H,4,9H2,1-3H3.
What are the key properties of 1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 170.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 83084913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).