2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide

C9H18N2O2 — CID 131155453

IUPAC2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide
SMILESCONC(=O)CN1C(C)CCC1C
InChIInChI=1S/C9H18N2O2/c1-7-4-5-8(2)11(7)6-9(12)10-13-3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyJSPNBUBFKONZRO-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.54
Rot. Bonds3

About 2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide

2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide (PubChem CID 131155453) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide
PubChem CID131155453
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide
SMILESCONC(=O)CN1C(C)CCC1C
InChIInChI=1S/C9H18N2O2/c1-7-4-5-8(2)11(7)6-9(12)10-13-3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyJSPNBUBFKONZRO-UHFFFAOYSA-N
XLogP0.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide?
The IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide (CID 131155453) is 2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide?
The canonical SMILES for 2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide is CONC(=O)CN1C(C)CCC1C.
What is the InChIKey of 2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide?
The InChIKey is JSPNBUBFKONZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7-4-5-8(2)11(7)6-9(12)10-13-3/h7-8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide?
2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide has a molecular weight of 186.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide is sourced from PubChem (CID 131155453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).