(E)-3-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide

C11H13N3O2 — CID 135624068

IUPAC(E)-3-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide
SMILESCNC(=O)C(/N=N/c1ccccc1)=C(/C)O
InChIInChI=1S/C11H13N3O2/c1-8(15)10(11(16)12-2)14-13-9-6-4-3-5-7-9/h3-7,15H,1-2H3,(H,12,16)/b10-8+,14-13+
InChIKeyLJGJOYJMVOLJJK-UBLABLSGSA-N
MW219.24 g/mol
LogP2.31
Rot. Bonds3

About (E)-3-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide

(E)-3-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide (PubChem CID 135624068) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (E)-3-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide
PubChem CID135624068
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(E)-3-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide
SMILESCNC(=O)C(/N=N/c1ccccc1)=C(/C)O
InChIInChI=1S/C11H13N3O2/c1-8(15)10(11(16)12-2)14-13-9-6-4-3-5-7-9/h3-7,15H,1-2H3,(H,12,16)/b10-8+,14-13+
InChIKeyLJGJOYJMVOLJJK-UBLABLSGSA-N
XLogP2.31
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide?
The IUPAC name of (E)-3-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide (CID 135624068) is (E)-3-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide.
What is the SMILES notation for (E)-3-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide?
The canonical SMILES for (E)-3-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide is CNC(=O)C(/N=N/c1ccccc1)=C(/C)O.
What is the InChIKey of (E)-3-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide?
The InChIKey is LJGJOYJMVOLJJK-UBLABLSGSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8(15)10(11(16)12-2)14-13-9-6-4-3-5-7-9/h3-7,15H,1-2H3,(H,12,16)/b10-8+,14-13+.
What are the key properties of (E)-3-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide?
(E)-3-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide has a molecular weight of 219.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-N-methyl-2-phenyldiazenylbut-2-enamide is sourced from PubChem (CID 135624068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).