5-imino-3,3,4,4-tetramethylpyrrolidin-2-one

C8H14N2O — CID 154133814

IUPAC5-imino-3,3,4,4-tetramethylpyrrolidin-2-one
SMILES[H]/N=C1\NC(=O)C(C)(C)C1(C)C
InChIInChI=1S/C8H14N2O/c1-7(2)5(9)10-6(11)8(7,3)4/h1-4H3,(H2,9,10,11)
InChIKeyKMNDNRFSQLFOJJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.15
Rot. Bonds

About 5-imino-3,3,4,4-tetramethylpyrrolidin-2-one

5-imino-3,3,4,4-tetramethylpyrrolidin-2-one (PubChem CID 154133814) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-imino-3,3,4,4-tetramethylpyrrolidin-2-one.

Molecular Properties

Compound Name5-imino-3,3,4,4-tetramethylpyrrolidin-2-one
PubChem CID154133814
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-imino-3,3,4,4-tetramethylpyrrolidin-2-one
SMILES[H]/N=C1\NC(=O)C(C)(C)C1(C)C
InChIInChI=1S/C8H14N2O/c1-7(2)5(9)10-6(11)8(7,3)4/h1-4H3,(H2,9,10,11)
InChIKeyKMNDNRFSQLFOJJ-UHFFFAOYSA-N
XLogP1.15
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-imino-3,3,4,4-tetramethylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-imino-3,3,4,4-tetramethylpyrrolidin-2-one?
The IUPAC name of 5-imino-3,3,4,4-tetramethylpyrrolidin-2-one (CID 154133814) is 5-imino-3,3,4,4-tetramethylpyrrolidin-2-one.
What is the SMILES notation for 5-imino-3,3,4,4-tetramethylpyrrolidin-2-one?
The canonical SMILES for 5-imino-3,3,4,4-tetramethylpyrrolidin-2-one is [H]/N=C1\NC(=O)C(C)(C)C1(C)C.
What is the InChIKey of 5-imino-3,3,4,4-tetramethylpyrrolidin-2-one?
The InChIKey is KMNDNRFSQLFOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(2)5(9)10-6(11)8(7,3)4/h1-4H3,(H2,9,10,11).
What are the key properties of 5-imino-3,3,4,4-tetramethylpyrrolidin-2-one?
5-imino-3,3,4,4-tetramethylpyrrolidin-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-3,3,4,4-tetramethylpyrrolidin-2-one is sourced from PubChem (CID 154133814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).