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

C4H8N2O — CID 88931037

IUPAC(E)-1-amino-3-methyliminoprop-1-en-2-ol
SMILESC/N=C/C(O)=C\N
InChIInChI=1S/C4H8N2O/c1-6-3-4(7)2-5/h2-3,7H,5H2,1H3/b4-2+,6-3+
InChIKeyDTDBDROCGAHCCX-PIXFVPMGSA-N
MW100.12 g/mol
LogP0.05
Rot. Bonds1

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

(E)-1-amino-3-methyliminoprop-1-en-2-ol (PubChem CID 88931037) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (E)-1-amino-3-methyliminoprop-1-en-2-ol.

Molecular Properties

Compound Name(E)-1-amino-3-methyliminoprop-1-en-2-ol
PubChem CID88931037
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(E)-1-amino-3-methyliminoprop-1-en-2-ol
SMILESC/N=C/C(O)=C\N
InChIInChI=1S/C4H8N2O/c1-6-3-4(7)2-5/h2-3,7H,5H2,1H3/b4-2+,6-3+
InChIKeyDTDBDROCGAHCCX-PIXFVPMGSA-N
XLogP0.05
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.05
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-methyliminoprop-1-en-2-ol?
The IUPAC name of (E)-1-amino-3-methyliminoprop-1-en-2-ol (CID 88931037) is (E)-1-amino-3-methyliminoprop-1-en-2-ol.
What is the SMILES notation for (E)-1-amino-3-methyliminoprop-1-en-2-ol?
The canonical SMILES for (E)-1-amino-3-methyliminoprop-1-en-2-ol is C/N=C/C(O)=C\N.
What is the InChIKey of (E)-1-amino-3-methyliminoprop-1-en-2-ol?
The InChIKey is DTDBDROCGAHCCX-PIXFVPMGSA-N. The full InChI is InChI=1S/C4H8N2O/c1-6-3-4(7)2-5/h2-3,7H,5H2,1H3/b4-2+,6-3+.
What are the key properties of (E)-1-amino-3-methyliminoprop-1-en-2-ol?
(E)-1-amino-3-methyliminoprop-1-en-2-ol has a molecular weight of 100.12 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-amino-3-methyliminoprop-1-en-2-ol is sourced from PubChem (CID 88931037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).