1-Methyl-3-methyliminopyrrolidin-2-one

C₆H₁₀N₂O — CID 18787551

About 1-Methyl-3-methyliminopyrrolidin-2-one

1-Methyl-3-methyliminopyrrolidin-2-one (PubChem CID 18787551) has the molecular formula C₆H₁₀N₂O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-methyl-3-methyliminopyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-Methyl-3-methyliminopyrrolidin-2-one
• PubChem CID: 18787551
• Molecular Formula: C₆H₁₀N₂O
• Molecular Weight: 126.16 g/mol
• Exact Mass: 126.08
• IUPAC Name: 1-methyl-3-methyliminopyrrolidin-2-one
• SMILES: C/N=C1\CCN(C)C1=O
• InChI: InChI=1S/C6H10N2O/c1-7-5-3-4-8(2)6(5)9/h3-4H2,1-2H3/b7-5+
• InChIKey: RAIBJRUFTBHGTA-FNORWQNLSA-N
• XLogP: -0.08
• TPSA: 32.67 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	126.16
LogP ≤ 5	-0.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-Methyl-3-methyliminopyrrolidin-2-one?

The IUPAC name of 1-Methyl-3-methyliminopyrrolidin-2-one (CID 18787551) is 1-methyl-3-methyliminopyrrolidin-2-one.

What is the SMILES notation for 1-Methyl-3-methyliminopyrrolidin-2-one?

The canonical SMILES for 1-Methyl-3-methyliminopyrrolidin-2-one is C/N=C1\CCN(C)C1=O.

What is the InChIKey of 1-Methyl-3-methyliminopyrrolidin-2-one?

The InChIKey is RAIBJRUFTBHGTA-FNORWQNLSA-N. The full InChI is InChI=1S/C6H10N2O/c1-7-5-3-4-8(2)6(5)9/h3-4H2,1-2H3/b7-5+.

What are the key properties of 1-Methyl-3-methyliminopyrrolidin-2-one?

1-Methyl-3-methyliminopyrrolidin-2-one has a molecular weight of 126.16 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-Methyl-3-methyliminopyrrolidin-2-one is sourced from PubChem (CID 18787551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 18787551 — identifiers, structure, computed properties (public domain)

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