N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide

C10H19N3O2 — CID 3156690

IUPACN'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide
SMILESCCN1CCCC1CNC(=O)C(=O)NC
InChIInChI=1S/C10H19N3O2/c1-3-13-6-4-5-8(13)7-12-10(15)9(14)11-2/h8H,3-7H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyCPXMBVOJUCHNOD-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.67
Rot. Bonds3

About N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide

N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide (PubChem CID 3156690) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide
PubChem CID3156690
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide
SMILESCCN1CCCC1CNC(=O)C(=O)NC
InChIInChI=1S/C10H19N3O2/c1-3-13-6-4-5-8(13)7-12-10(15)9(14)11-2/h8H,3-7H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyCPXMBVOJUCHNOD-UHFFFAOYSA-N
XLogP-0.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide?
The IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide (CID 3156690) is N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide.
What is the SMILES notation for N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide?
The canonical SMILES for N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide is CCN1CCCC1CNC(=O)C(=O)NC.
What is the InChIKey of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide?
The InChIKey is CPXMBVOJUCHNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-13-6-4-5-8(13)7-12-10(15)9(14)11-2/h8H,3-7H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide?
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide has a molecular weight of 213.28 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxamide is sourced from PubChem (CID 3156690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).