2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

C10H8N4O4 — CID 135715830

IUPAC2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H8N4O4/c11-4-3-10(16)13-12-6-7-5-8(14(17)18)1-2-9(7)15/h1-2,5-6,15H,3H2,(H,13,16)/b12-6+
InChIKeyNFPZIUCOXLFUHO-WUXMJOGZSA-N
MW248.20 g/mol
LogP0.66
Rot. Bonds4

About 2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 135715830) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID135715830
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC Name2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H8N4O4/c11-4-3-10(16)13-12-6-7-5-8(14(17)18)1-2-9(7)15/h1-2,5-6,15H,3H2,(H,13,16)/b12-6+
InChIKeyNFPZIUCOXLFUHO-WUXMJOGZSA-N
XLogP0.66
TPSA128.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_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

2-(4-ethylphenyl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 137180707
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135479340
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135560373
2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135582572
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 136824462
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2,4,6-tribromoanilino)acetamide
CID 4579074
2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4111159
3-fluoro-N-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4195125
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 135627954
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 135682502

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (CID 135715830) is 2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is N#CCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is NFPZIUCOXLFUHO-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H8N4O4/c11-4-3-10(16)13-12-6-7-5-8(14(17)18)1-2-9(7)15/h1-2,5-6,15H,3H2,(H,13,16)/b12-6+.
What are the key properties of 2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 248.20 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 135715830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).