(E)-1-amino-3-ethenyliminoprop-1-en-2-ol

C5H8N2O — CID 87085167

IUPAC(E)-1-amino-3-ethenyliminoprop-1-en-2-ol
SMILESC=C/N=C/C(O)=C\N
InChIInChI=1S/C5H8N2O/c1-2-7-4-5(8)3-6/h2-4,8H,1,6H2/b5-3+,7-4+
InChIKeyUDJXGLKYLZHSSF-HJIKTHEYSA-N
MW112.13 g/mol
LogP0.56
Rot. Bonds2

About (E)-1-amino-3-ethenyliminoprop-1-en-2-ol

(E)-1-amino-3-ethenyliminoprop-1-en-2-ol (PubChem CID 87085167) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (E)-1-amino-3-ethenyliminoprop-1-en-2-ol.

Molecular Properties

Compound Name(E)-1-amino-3-ethenyliminoprop-1-en-2-ol
PubChem CID87085167
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(E)-1-amino-3-ethenyliminoprop-1-en-2-ol
SMILESC=C/N=C/C(O)=C\N
InChIInChI=1S/C5H8N2O/c1-2-7-4-5(8)3-6/h2-4,8H,1,6H2/b5-3+,7-4+
InChIKeyUDJXGLKYLZHSSF-HJIKTHEYSA-N
XLogP0.56
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.56
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-amino-3-ethenyliminoprop-1-en-2-ol?
The IUPAC name of (E)-1-amino-3-ethenyliminoprop-1-en-2-ol (CID 87085167) is (E)-1-amino-3-ethenyliminoprop-1-en-2-ol.
What is the SMILES notation for (E)-1-amino-3-ethenyliminoprop-1-en-2-ol?
The canonical SMILES for (E)-1-amino-3-ethenyliminoprop-1-en-2-ol is C=C/N=C/C(O)=C\N.
What is the InChIKey of (E)-1-amino-3-ethenyliminoprop-1-en-2-ol?
The InChIKey is UDJXGLKYLZHSSF-HJIKTHEYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-2-7-4-5(8)3-6/h2-4,8H,1,6H2/b5-3+,7-4+.
What are the key properties of (E)-1-amino-3-ethenyliminoprop-1-en-2-ol?
(E)-1-amino-3-ethenyliminoprop-1-en-2-ol has a molecular weight of 112.13 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-amino-3-ethenyliminoprop-1-en-2-ol is sourced from PubChem (CID 87085167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).