(E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide

C10H10N2O4 — CID 107743856

IUPAC(E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C10H10N2O4/c1-2-3-10(14)11-8-5-4-7(12(15)16)6-9(8)13/h2-6,13H,1H3,(H,11,14)/b3-2+
InChIKeyGGSURJZDDPDJHZ-NSCUHMNNSA-N
MW222.20 g/mol
LogP1.82
Rot. Bonds3

About (E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide

(E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide (PubChem CID 107743856) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is (E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide
PubChem CID107743856
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name(E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C10H10N2O4/c1-2-3-10(14)11-8-5-4-7(12(15)16)6-9(8)13/h2-6,13H,1H3,(H,11,14)/b3-2+
InChIKeyGGSURJZDDPDJHZ-NSCUHMNNSA-N
XLogP1.82
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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)-N-(2-hydroxy-4-nitrophenyl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 127028695
N-(2-hydroxy-4-nitrophenyl)but-2-ynamide
CID 107989033
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide
CID 70210043
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide
CID 107744191
1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 21184795
(2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide
CID 107744218
(2S)-2-amino-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 107744397
(2S)-2-bromo-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 52904928
5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide
CID 107744274
N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 107745566

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide?
The IUPAC name of (E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide (CID 107743856) is (E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide is C/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of (E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide?
The InChIKey is GGSURJZDDPDJHZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-2-3-10(14)11-8-5-4-7(12(15)16)6-9(8)13/h2-6,13H,1H3,(H,11,14)/b3-2+.
What are the key properties of (E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide?
(E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide has a molecular weight of 222.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide is sourced from PubChem (CID 107743856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).