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

C11H11N3O4 — CID 135460591

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C1CC1
InChIInChI=1S/C11H11N3O4/c15-10-4-3-9(14(17)18)5-8(10)6-12-13-11(16)7-1-2-7/h3-7,15H,1-2H2,(H,13,16)/b12-6+
InChIKeyFYVWTHHBLWDOOL-WUXMJOGZSA-N
MW249.23 g/mol
LogP1.16
Rot. Bonds4

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

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 135460591) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID135460591
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C1CC1
InChIInChI=1S/C11H11N3O4/c15-10-4-3-9(14(17)18)5-8(10)6-12-13-11(16)7-1-2-7/h3-7,15H,1-2H2,(H,13,16)/b12-6+
InChIKeyFYVWTHHBLWDOOL-WUXMJOGZSA-N
XLogP1.16
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135509553
3-Nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide
CID 3094002
2-hydroxy-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135642278
Hydrazinecarbothioamide, 2-[(2-hydroxy-5-nitrophenyl)methylene]-
CID 3111530
N'-[(1E)-(2-Hydroxy-5-nitrophenyl)methylidene]adamantane-1-carbohydrazide
CID 86261287
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-oxopiperidine-3-carbohydrazide
CID 135650721
4-Nitro-2-[(3-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135439762
2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol
CID 135520025
(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinecarboximidamide
CID 135454394
4-Nitro-2-[(2-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135403145
Benzaldehyde, 2-hydroxy-5-nitro-, oxime
CID 86261909
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]cyclopropanecarboxamide (CID 135460591) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]cyclopropanecarboxamide is O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C1CC1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is FYVWTHHBLWDOOL-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-10-4-3-9(14(17)18)5-8(10)6-12-13-11(16)7-1-2-7/h3-7,15H,1-2H2,(H,13,16)/b12-6+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 249.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 135460591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).