N-(N'-methylcarbamimidoyl)propanamide

C5H11N3O — CID 121478435

IUPACN-(N'-methylcarbamimidoyl)propanamide
SMILESCCC(=O)N/C(N)=N/C
InChIInChI=1S/C5H11N3O/c1-3-4(9)8-5(6)7-2/h3H2,1-2H3,(H3,6,7,8,9)
InChIKeyVGLCFVXXFFRWEK-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.54
Rot. Bonds1

About N-(N'-methylcarbamimidoyl)propanamide

N-(N'-methylcarbamimidoyl)propanamide (PubChem CID 121478435) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is N-(N'-methylcarbamimidoyl)propanamide.

Molecular Properties

Compound NameN-(N'-methylcarbamimidoyl)propanamide
PubChem CID121478435
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC NameN-(N'-methylcarbamimidoyl)propanamide
SMILESCCC(=O)N/C(N)=N/C
InChIInChI=1S/C5H11N3O/c1-3-4(9)8-5(6)7-2/h3H2,1-2H3,(H3,6,7,8,9)
InChIKeyVGLCFVXXFFRWEK-UHFFFAOYSA-N
XLogP-0.54
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.54
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'}

Analyze N-(N'-methylcarbamimidoyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(N'-methylcarbamimidoyl)propanamide?
The IUPAC name of N-(N'-methylcarbamimidoyl)propanamide (CID 121478435) is N-(N'-methylcarbamimidoyl)propanamide.
What is the SMILES notation for N-(N'-methylcarbamimidoyl)propanamide?
The canonical SMILES for N-(N'-methylcarbamimidoyl)propanamide is CCC(=O)N/C(N)=N/C.
What is the InChIKey of N-(N'-methylcarbamimidoyl)propanamide?
The InChIKey is VGLCFVXXFFRWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-3-4(9)8-5(6)7-2/h3H2,1-2H3,(H3,6,7,8,9).
What are the key properties of N-(N'-methylcarbamimidoyl)propanamide?
N-(N'-methylcarbamimidoyl)propanamide has a molecular weight of 129.16 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-methylcarbamimidoyl)propanamide is sourced from PubChem (CID 121478435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).