(E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide

C9H8N2O4 — CID 21184793

IUPAC(E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C9H8N2O4/c10-9(13)4-2-6-1-3-7(11(14)15)8(12)5-6/h1-5,12H,(H2,10,13)/b4-2+
InChIKeyOGSSXDOYNXFLME-DUXPYHPUSA-N
MW208.17 g/mol
LogP0.80
Rot. Bonds3

About (E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide

(E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide (PubChem CID 21184793) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is (E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide
PubChem CID21184793
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name(E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C9H8N2O4/c10-9(13)4-2-6-1-3-7(11(14)15)8(12)5-6/h1-5,12H,(H2,10,13)/b4-2+
InChIKeyOGSSXDOYNXFLME-DUXPYHPUSA-N
XLogP0.80
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-hydroxy-4-nitrophenyl)-1-phenylprop-2-en-1-one
CID 59917054
3-(4-acetamido-3-nitrophenyl)prop-2-enamide
CID 169482609
(E)-3-(5-hydroxy-2-nitrophenyl)prop-2-enamide
CID 70400933
5-(3-chloroprop-1-enyl)-2-nitrophenol
CID 169477764
4-(3-hydroxy-4-nitrophenyl)but-3-enal
CID 170482322
(E)-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 170876700
(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 142522237
3-(3-nitrophenyl)prop-2-enamide
CID 692292
5-(4-bromobut-1-enyl)-2-nitrophenol
CID 170497905
3-(2-fluoro-4-hydroxy-5-nitrophenyl)prop-2-enamide
CID 169482372
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
CID 131243997

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide (CID 21184793) is (E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide is NC(=O)/C=C/c1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of (E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide?
The InChIKey is OGSSXDOYNXFLME-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H8N2O4/c10-9(13)4-2-6-1-3-7(11(14)15)8(12)5-6/h1-5,12H,(H2,10,13)/b4-2+.
What are the key properties of (E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide?
(E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide has a molecular weight of 208.17 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 21184793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).