1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one

C9H18N2O2 — CID 130734609

IUPAC1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one
SMILESCON(C)CN1C(=O)CCC1(C)C
InChIInChI=1S/C9H18N2O2/c1-9(2)6-5-8(12)11(9)7-10(3)13-4/h5-7H2,1-4H3
InChIKeyFTMITGXQAWHZGQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.84
Rot. Bonds3

About 1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one

1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one (PubChem CID 130734609) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one
PubChem CID130734609
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one
SMILESCON(C)CN1C(=O)CCC1(C)C
InChIInChI=1S/C9H18N2O2/c1-9(2)6-5-8(12)11(9)7-10(3)13-4/h5-7H2,1-4H3
InChIKeyFTMITGXQAWHZGQ-UHFFFAOYSA-N
XLogP0.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(N-methoxy-N-methylcarbamoyl)-5,5-dimethylpyrrolidin-2-one
CID 19022148
1-[[Ethyl(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one
CID 131131555
1-Methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one
CID 163246560
1-[[Butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 168900055

Frequently Asked Questions

What is the IUPAC name of 1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one (CID 130734609) is 1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one is CON(C)CN1C(=O)CCC1(C)C.
What is the InChIKey of 1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one?
The InChIKey is FTMITGXQAWHZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2)6-5-8(12)11(9)7-10(3)13-4/h5-7H2,1-4H3.
What are the key properties of 1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one?
1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one has a molecular weight of 186.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methoxy(methyl)amino]methyl]-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 130734609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).