(E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide

C10H10FN3O — CID 144556603

IUPAC(E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide
SMILESN/C=C(C=O)\C(N)=N\c1ccc(F)cc1
InChIInChI=1S/C10H10FN3O/c11-8-1-3-9(4-2-8)14-10(13)7(5-12)6-15/h1-6H,12H2,(H2,13,14)/b7-5-
InChIKeyYZHUNZXDXITJHD-ALCCZGGFSA-N
MW207.21 g/mol
LogP0.86
Rot. Bonds3

About (E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide

(E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide (PubChem CID 144556603) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is (E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide.

Molecular Properties

Compound Name(E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide
PubChem CID144556603
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name(E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide
SMILESN/C=C(C=O)\C(N)=N\c1ccc(F)cc1
InChIInChI=1S/C10H10FN3O/c11-8-1-3-9(4-2-8)14-10(13)7(5-12)6-15/h1-6H,12H2,(H2,13,14)/b7-5-
InChIKeyYZHUNZXDXITJHD-ALCCZGGFSA-N
XLogP0.86
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide?
The IUPAC name of (E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide (CID 144556603) is (E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide.
What is the SMILES notation for (E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide?
The canonical SMILES for (E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide is N/C=C(C=O)\C(N)=N\c1ccc(F)cc1.
What is the InChIKey of (E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide?
The InChIKey is YZHUNZXDXITJHD-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-8-1-3-9(4-2-8)14-10(13)7(5-12)6-15/h1-6H,12H2,(H2,13,14)/b7-5-.
What are the key properties of (E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide?
(E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide has a molecular weight of 207.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-N'-(4-fluorophenyl)-2-formylprop-2-enimidamide is sourced from PubChem (CID 144556603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).