2-iminoethylurea

C3H7N3O — CID 57226639

IUPAC2-iminoethylurea
SMILES[H]/N=C/CNC(N)=O
InChIInChI=1S/C3H7N3O/c4-1-2-6-3(5)7/h1,4H,2H2,(H3,5,6,7)/b4-1+
InChIKeyHAIHGJMCEBTMNH-DAFODLJHSA-N
MW101.11 g/mol
LogP-0.70
Rot. Bonds2

About 2-iminoethylurea

2-iminoethylurea (PubChem CID 57226639) has the molecular formula C3H7N3O and a molecular weight of 101.11 g/mol. Its IUPAC name is 2-iminoethylurea.

Molecular Properties

Compound Name2-iminoethylurea
PubChem CID57226639
Molecular FormulaC3H7N3O
Molecular Weight101.11 g/mol
Exact Mass101.06
IUPAC Name2-iminoethylurea
SMILES[H]/N=C/CNC(N)=O
InChIInChI=1S/C3H7N3O/c4-1-2-6-3(5)7/h1,4H,2H2,(H3,5,6,7)/b4-1+
InChIKeyHAIHGJMCEBTMNH-DAFODLJHSA-N
XLogP-0.70
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iminoethylurea 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 2-iminoethylurea?
The IUPAC name of 2-iminoethylurea (CID 57226639) is 2-iminoethylurea.
What is the SMILES notation for 2-iminoethylurea?
The canonical SMILES for 2-iminoethylurea is [H]/N=C/CNC(N)=O.
What is the InChIKey of 2-iminoethylurea?
The InChIKey is HAIHGJMCEBTMNH-DAFODLJHSA-N. The full InChI is InChI=1S/C3H7N3O/c4-1-2-6-3(5)7/h1,4H,2H2,(H3,5,6,7)/b4-1+.
What are the key properties of 2-iminoethylurea?
2-iminoethylurea has a molecular weight of 101.11 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminoethylurea is sourced from PubChem (CID 57226639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).