(E)-N,N'-dihydroxybut-2-enediamide

C4H6N2O4 — CID 18934267

IUPAC(E)-N,N'-dihydroxybut-2-enediamide
SMILESO=C(/C=C/C(=O)NO)NO
InChIInChI=1S/C4H6N2O4/c7-3(5-9)1-2-4(8)6-10/h1-2,9-10H,(H,5,7)(H,6,8)/b2-1+
InChIKeyAVIXSAXDDXBROX-OWOJBTEDSA-N
MW146.10 g/mol
LogP-1.45
Rot. Bonds2

About (E)-N,N'-dihydroxybut-2-enediamide

(E)-N,N'-dihydroxybut-2-enediamide (PubChem CID 18934267) has the molecular formula C4H6N2O4 and a molecular weight of 146.10 g/mol. Its IUPAC name is (E)-N,N'-dihydroxybut-2-enediamide.

Molecular Properties

Compound Name(E)-N,N'-dihydroxybut-2-enediamide
PubChem CID18934267
Molecular FormulaC4H6N2O4
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name(E)-N,N'-dihydroxybut-2-enediamide
SMILESO=C(/C=C/C(=O)NO)NO
InChIInChI=1S/C4H6N2O4/c7-3(5-9)1-2-4(8)6-10/h1-2,9-10H,(H,5,7)(H,6,8)/b2-1+
InChIKeyAVIXSAXDDXBROX-OWOJBTEDSA-N
XLogP-1.45
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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)-N,N'-dihydroxybut-2-enediamide?
The IUPAC name of (E)-N,N'-dihydroxybut-2-enediamide (CID 18934267) is (E)-N,N'-dihydroxybut-2-enediamide.
What is the SMILES notation for (E)-N,N'-dihydroxybut-2-enediamide?
The canonical SMILES for (E)-N,N'-dihydroxybut-2-enediamide is O=C(/C=C/C(=O)NO)NO.
What is the InChIKey of (E)-N,N'-dihydroxybut-2-enediamide?
The InChIKey is AVIXSAXDDXBROX-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H6N2O4/c7-3(5-9)1-2-4(8)6-10/h1-2,9-10H,(H,5,7)(H,6,8)/b2-1+.
What are the key properties of (E)-N,N'-dihydroxybut-2-enediamide?
(E)-N,N'-dihydroxybut-2-enediamide has a molecular weight of 146.10 g/mol, XLogP of -1.45, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-dihydroxybut-2-enediamide is sourced from PubChem (CID 18934267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).