N-(2-hydroxy-4-nitrophenyl)but-2-ynamide

C10H8N2O4 — CID 107989033

IUPACN-(2-hydroxy-4-nitrophenyl)but-2-ynamide
SMILESCC#CC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C10H8N2O4/c1-2-3-10(14)11-8-5-4-7(12(15)16)6-9(8)13/h4-6,13H,1H3,(H,11,14)
InChIKeyALNGENQGZIUEJO-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.26
Rot. Bonds2

About N-(2-hydroxy-4-nitrophenyl)but-2-ynamide

N-(2-hydroxy-4-nitrophenyl)but-2-ynamide (PubChem CID 107989033) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)but-2-ynamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)but-2-ynamide
PubChem CID107989033
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC NameN-(2-hydroxy-4-nitrophenyl)but-2-ynamide
SMILESCC#CC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C10H8N2O4/c1-2-3-10(14)11-8-5-4-7(12(15)16)6-9(8)13/h4-6,13H,1H3,(H,11,14)
InChIKeyALNGENQGZIUEJO-UHFFFAOYSA-N
XLogP1.26
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide
CID 107743856
N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide
CID 70210043
(2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide
CID 7285095
(2-hydroxy-4-nitrophenyl)cyanamide
CID 107857211
1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide
CID 107744191
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
(2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide
CID 107744218
1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 21184795
(2S)-2-amino-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 107744397
(2S)-2-bromo-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 52904928
methyl 3-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate
CID 108799749
5-amino-2-bromo-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107744382

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)but-2-ynamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)but-2-ynamide (CID 107989033) is N-(2-hydroxy-4-nitrophenyl)but-2-ynamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)but-2-ynamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)but-2-ynamide is CC#CC(=O)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)but-2-ynamide?
The InChIKey is ALNGENQGZIUEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-2-3-10(14)11-8-5-4-7(12(15)16)6-9(8)13/h4-6,13H,1H3,(H,11,14).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)but-2-ynamide?
N-(2-hydroxy-4-nitrophenyl)but-2-ynamide has a molecular weight of 220.18 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)but-2-ynamide is sourced from PubChem (CID 107989033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).