N-(2-hydroxy-6-nitrophenyl)prop-2-enamide

C9H8N2O4 — CID 107679556

IUPACN-(2-hydroxy-6-nitrophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H8N2O4/c1-2-8(13)10-9-6(11(14)15)4-3-5-7(9)12/h2-5,12H,1H2,(H,10,13)
InChIKeyHNXBELWCEQUQTO-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.42
Rot. Bonds3

About N-(2-hydroxy-6-nitrophenyl)prop-2-enamide

N-(2-hydroxy-6-nitrophenyl)prop-2-enamide (PubChem CID 107679556) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is N-(2-hydroxy-6-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-nitrophenyl)prop-2-enamide
PubChem CID107679556
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC NameN-(2-hydroxy-6-nitrophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H8N2O4/c1-2-8(13)10-9-6(11(14)15)4-3-5-7(9)12/h2-5,12H,1H2,(H,10,13)
InChIKeyHNXBELWCEQUQTO-UHFFFAOYSA-N
XLogP1.42
TPSA92.47 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 ≤ 51.42
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

N-(2-hydroxy-6-nitrophenyl)but-3-enamide
CID 107681224
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551
N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide
CID 107681442
2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107906031
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178
N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide
CID 107681392
3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681117
2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide
CID 107681048
2-ethenyl-3-nitrophenol
CID 10583166
1-hydroxy-3-nitro-2-(sulfamoylamino)benzene
CID 107681501
4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107679552

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(2-hydroxy-6-nitrophenyl)prop-2-enamide (CID 107679556) is N-(2-hydroxy-6-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxy-6-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxy-6-nitrophenyl)prop-2-enamide is C=CC(=O)Nc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxy-6-nitrophenyl)prop-2-enamide?
The InChIKey is HNXBELWCEQUQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c1-2-8(13)10-9-6(11(14)15)4-3-5-7(9)12/h2-5,12H,1H2,(H,10,13).
What are the key properties of N-(2-hydroxy-6-nitrophenyl)prop-2-enamide?
N-(2-hydroxy-6-nitrophenyl)prop-2-enamide has a molecular weight of 208.17 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 107679556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).