N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide

C10H10N2O5 — CID 107681107

IUPACN-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O5/c1-6(13)5-9(15)11-10-7(12(16)17)3-2-4-8(10)14/h2-4,14H,5H2,1H3,(H,11,15)
InChIKeyTUJFLZQGFWZSCP-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.22
Rot. Bonds4

About N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide

N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide (PubChem CID 107681107) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
PubChem CID107681107
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC NameN-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O5/c1-6(13)5-9(15)11-10-7(12(16)17)3-2-4-8(10)14/h2-4,14H,5H2,1H3,(H,11,15)
InChIKeyTUJFLZQGFWZSCP-UHFFFAOYSA-N
XLogP1.22
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide
CID 107681048
N-(2-hydroxy-6-nitrophenyl)but-3-enamide
CID 107681224
N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide
CID 107681464
N-(2-hydroxy-6-nitrophenyl)-3-methylpentanamide
CID 107681171
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551
N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide
CID 107681392
N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide
CID 107681256
2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107906031
N-(2-hydroxy-6-nitrophenyl)prop-2-enamide
CID 107679556
3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107681385
N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide
CID 107680976
N-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide
CID 107681208

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide?
The IUPAC name of N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide (CID 107681107) is N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide.
What is the SMILES notation for N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide?
The canonical SMILES for N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide is CC(=O)CC(=O)Nc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide?
The InChIKey is TUJFLZQGFWZSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c1-6(13)5-9(15)11-10-7(12(16)17)3-2-4-8(10)14/h2-4,14H,5H2,1H3,(H,11,15).
What are the key properties of N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide?
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide has a molecular weight of 238.20 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide is sourced from PubChem (CID 107681107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).