N-(N'-methylcarbamimidoyl)acetamide

C4H9N3O — CID 55290249

IUPACN-(N'-methylcarbamimidoyl)acetamide
SMILESC/N=C(\N)NC(C)=O
InChIInChI=1S/C4H9N3O/c1-3(8)7-4(5)6-2/h1-2H3,(H3,5,6,7,8)
InChIKeyVPLDMZGIHIMNIG-UHFFFAOYSA-N
MW115.14 g/mol
LogP-0.93
Rot. Bonds

About N-(N'-methylcarbamimidoyl)acetamide

N-(N'-methylcarbamimidoyl)acetamide (PubChem CID 55290249) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is N-(N'-methylcarbamimidoyl)acetamide.

Molecular Properties

Compound NameN-(N'-methylcarbamimidoyl)acetamide
PubChem CID55290249
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC NameN-(N'-methylcarbamimidoyl)acetamide
SMILESC/N=C(\N)NC(C)=O
InChIInChI=1S/C4H9N3O/c1-3(8)7-4(5)6-2/h1-2H3,(H3,5,6,7,8)
InChIKeyVPLDMZGIHIMNIG-UHFFFAOYSA-N
XLogP-0.93
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(N'-methylcarbamimidoyl)acetamide?
The IUPAC name of N-(N'-methylcarbamimidoyl)acetamide (CID 55290249) is N-(N'-methylcarbamimidoyl)acetamide.
What is the SMILES notation for N-(N'-methylcarbamimidoyl)acetamide?
The canonical SMILES for N-(N'-methylcarbamimidoyl)acetamide is C/N=C(\N)NC(C)=O.
What is the InChIKey of N-(N'-methylcarbamimidoyl)acetamide?
The InChIKey is VPLDMZGIHIMNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-3(8)7-4(5)6-2/h1-2H3,(H3,5,6,7,8).
What are the key properties of N-(N'-methylcarbamimidoyl)acetamide?
N-(N'-methylcarbamimidoyl)acetamide has a molecular weight of 115.14 g/mol, XLogP of -0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-methylcarbamimidoyl)acetamide is sourced from PubChem (CID 55290249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).