(E)-4-amino-N-hydroxybut-2-enamide

C4H8N2O2 — CID 130533249

IUPAC(E)-4-amino-N-hydroxybut-2-enamide
SMILESNC/C=C/C(=O)NO
InChIInChI=1S/C4H8N2O2/c5-3-1-2-4(7)6-8/h1-2,8H,3,5H2,(H,6,7)/b2-1+
InChIKeyZOTNVHKMBNBFPH-OWOJBTEDSA-N
MW116.12 g/mol
LogP-0.99
Rot. Bonds2

About (E)-4-amino-N-hydroxybut-2-enamide

(E)-4-amino-N-hydroxybut-2-enamide (PubChem CID 130533249) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is (E)-4-amino-N-hydroxybut-2-enamide.

Molecular Properties

Compound Name(E)-4-amino-N-hydroxybut-2-enamide
PubChem CID130533249
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name(E)-4-amino-N-hydroxybut-2-enamide
SMILESNC/C=C/C(=O)NO
InChIInChI=1S/C4H8N2O2/c5-3-1-2-4(7)6-8/h1-2,8H,3,5H2,(H,6,7)/b2-1+
InChIKeyZOTNVHKMBNBFPH-OWOJBTEDSA-N
XLogP-0.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-N-hydroxybut-2-enamide?
The IUPAC name of (E)-4-amino-N-hydroxybut-2-enamide (CID 130533249) is (E)-4-amino-N-hydroxybut-2-enamide.
What is the SMILES notation for (E)-4-amino-N-hydroxybut-2-enamide?
The canonical SMILES for (E)-4-amino-N-hydroxybut-2-enamide is NC/C=C/C(=O)NO.
What is the InChIKey of (E)-4-amino-N-hydroxybut-2-enamide?
The InChIKey is ZOTNVHKMBNBFPH-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-3-1-2-4(7)6-8/h1-2,8H,3,5H2,(H,6,7)/b2-1+.
What are the key properties of (E)-4-amino-N-hydroxybut-2-enamide?
(E)-4-amino-N-hydroxybut-2-enamide has a molecular weight of 116.12 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-N-hydroxybut-2-enamide is sourced from PubChem (CID 130533249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).