N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride

C5H10ClN3O — CID 174159458

IUPACN'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride
SMILESCO/C(C)=C(\N)N=C(N)Cl
InChIInChI=1S/C5H10ClN3O/c1-3(10-2)4(7)9-5(6)8/h7H2,1-2H3,(H2,8,9)/b4-3+
InChIKeyHSHXTOQCDBLRAD-ONEGZZNKSA-N
MW163.61 g/mol
LogP0.33
Rot. Bonds2

About N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride

N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride (PubChem CID 174159458) has the molecular formula C5H10ClN3O and a molecular weight of 163.61 g/mol. Its IUPAC name is N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride.

Molecular Properties

Compound NameN'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride
PubChem CID174159458
Molecular FormulaC5H10ClN3O
Molecular Weight163.61 g/mol
Exact Mass163.05
IUPAC NameN'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride
SMILESCO/C(C)=C(\N)N=C(N)Cl
InChIInChI=1S/C5H10ClN3O/c1-3(10-2)4(7)9-5(6)8/h7H2,1-2H3,(H2,8,9)/b4-3+
InChIKeyHSHXTOQCDBLRAD-ONEGZZNKSA-N
XLogP0.33
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.61
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride 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'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride?
The IUPAC name of N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride (CID 174159458) is N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride.
What is the SMILES notation for N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride?
The canonical SMILES for N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride is CO/C(C)=C(\N)N=C(N)Cl.
What is the InChIKey of N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride?
The InChIKey is HSHXTOQCDBLRAD-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H10ClN3O/c1-3(10-2)4(7)9-5(6)8/h7H2,1-2H3,(H2,8,9)/b4-3+.
What are the key properties of N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride?
N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride has a molecular weight of 163.61 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride is sourced from PubChem (CID 174159458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).