N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide

C8H11N3O2 — CID 43316269

IUPACN-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide
SMILESCN(C(=O)C(=O)NCC#N)C1CC1
InChIInChI=1S/C8H11N3O2/c1-11(6-2-3-6)8(13)7(12)10-5-4-9/h6H,2-3,5H2,1H3,(H,10,12)
InChIKeyVHYFSCJHWRCTFG-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.75
Rot. Bonds2

About N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide

N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide (PubChem CID 43316269) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide
PubChem CID43316269
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide
SMILESCN(C(=O)C(=O)NCC#N)C1CC1
InChIInChI=1S/C8H11N3O2/c1-11(6-2-3-6)8(13)7(12)10-5-4-9/h6H,2-3,5H2,1H3,(H,10,12)
InChIKeyVHYFSCJHWRCTFG-UHFFFAOYSA-N
XLogP-0.75
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide
CID 62978700
N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide
CID 54999160
methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate
CID 112616726
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide
CID 61437710
N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503671
N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide
CID 43316466
2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)-2-oxoacetamide
CID 61439009
N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide
CID 55164012
N'-cyclohexyl-N-(3-ethoxypropyl)-N'-methyloxamide
CID 108503625
N-(cyanomethyl)-N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)oxamide
CID 55008997
N-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 62122873
N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide
CID 43316288

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide?
The IUPAC name of N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide (CID 43316269) is N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide?
The canonical SMILES for N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide is CN(C(=O)C(=O)NCC#N)C1CC1.
What is the InChIKey of N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide?
The InChIKey is VHYFSCJHWRCTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11(6-2-3-6)8(13)7(12)10-5-4-9/h6H,2-3,5H2,1H3,(H,10,12).
What are the key properties of N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide?
N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide has a molecular weight of 181.19 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide is sourced from PubChem (CID 43316269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).