2-aminoethylideneurea

C3H7N3O — CID 123400317

IUPAC2-aminoethylideneurea
SMILESNCC=NC(N)=O
InChIInChI=1S/C3H7N3O/c4-1-2-6-3(5)7/h2H,1,4H2,(H2,5,7)
InChIKeyLIWJTYLKOVCHDS-UHFFFAOYSA-N
MW101.11 g/mol
LogP-0.91
Rot. Bonds1

About 2-aminoethylideneurea

2-aminoethylideneurea (PubChem CID 123400317) has the molecular formula C3H7N3O and a molecular weight of 101.11 g/mol. Its IUPAC name is 2-aminoethylideneurea.

Molecular Properties

Compound Name2-aminoethylideneurea
PubChem CID123400317
Molecular FormulaC3H7N3O
Molecular Weight101.11 g/mol
Exact Mass101.06
IUPAC Name2-aminoethylideneurea
SMILESNCC=NC(N)=O
InChIInChI=1S/C3H7N3O/c4-1-2-6-3(5)7/h2H,1,4H2,(H2,5,7)
InChIKeyLIWJTYLKOVCHDS-UHFFFAOYSA-N
XLogP-0.91
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethylideneurea?
The IUPAC name of 2-aminoethylideneurea (CID 123400317) is 2-aminoethylideneurea.
What is the SMILES notation for 2-aminoethylideneurea?
The canonical SMILES for 2-aminoethylideneurea is NCC=NC(N)=O.
What is the InChIKey of 2-aminoethylideneurea?
The InChIKey is LIWJTYLKOVCHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O/c4-1-2-6-3(5)7/h2H,1,4H2,(H2,5,7).
What are the key properties of 2-aminoethylideneurea?
2-aminoethylideneurea has a molecular weight of 101.11 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethylideneurea is sourced from PubChem (CID 123400317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).