(E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide

C12H14N4O5 — CID 135624063

IUPAC(E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide
SMILESCNC(=O)C(/N=N/c1ccc(OC)cc1[N+](=O)[O-])=C(/C)O
InChIInChI=1S/C12H14N4O5/c1-7(17)11(12(18)13-2)15-14-9-5-4-8(21-3)6-10(9)16(19)20/h4-6,17H,1-3H3,(H,13,18)/b11-7+,15-14+
InChIKeyAJHQJPMMXYXESY-PMYJVMGRSA-N
MW294.27 g/mol
LogP2.22
Rot. Bonds5

About (E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide

(E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide (PubChem CID 135624063) has the molecular formula C12H14N4O5 and a molecular weight of 294.27 g/mol. Its IUPAC name is (E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide
PubChem CID135624063
Molecular FormulaC12H14N4O5
Molecular Weight294.27 g/mol
Exact Mass294.10
IUPAC Name(E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide
SMILESCNC(=O)C(/N=N/c1ccc(OC)cc1[N+](=O)[O-])=C(/C)O
InChIInChI=1S/C12H14N4O5/c1-7(17)11(12(18)13-2)15-14-9-5-4-8(21-3)6-10(9)16(19)20/h4-6,17H,1-3H3,(H,13,18)/b11-7+,15-14+
InChIKeyAJHQJPMMXYXESY-PMYJVMGRSA-N
XLogP2.22
TPSA126.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide
CID 135624062
4-methoxy-2-nitro-1-(sulfonylamino)benzene
CID 174785505
(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 166639984
(E)-3-(4-methoxy-2-nitrophenyl)-2-methylprop-2-enoic acid
CID 66774250
2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol
CID 135703983
(Z)-3-[(4-carboxy-2-nitrophenyl)diazenyl]-4-oxopent-2-en-2-olate
CID 135696460
4-methoxy-1-(methoxymethyl)-2-nitrobenzene
CID 10584070
CID 59771362
CID 59771362
ethane;5-methoxy-2-nitrophenol
CID 143133372
(5-methoxy-2-nitrophenyl)methyl acetate
CID 70659279
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018
(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11100097

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide?
The IUPAC name of (E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide (CID 135624063) is (E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide.
What is the SMILES notation for (E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide?
The canonical SMILES for (E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide is CNC(=O)C(/N=N/c1ccc(OC)cc1[N+](=O)[O-])=C(/C)O.
What is the InChIKey of (E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide?
The InChIKey is AJHQJPMMXYXESY-PMYJVMGRSA-N. The full InChI is InChI=1S/C12H14N4O5/c1-7(17)11(12(18)13-2)15-14-9-5-4-8(21-3)6-10(9)16(19)20/h4-6,17H,1-3H3,(H,13,18)/b11-7+,15-14+.
What are the key properties of (E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide?
(E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide has a molecular weight of 294.27 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide is sourced from PubChem (CID 135624063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).