N-[(2-hydroxy-5-nitrophenyl)methylideneamino]cyclohexanecarboxamide

C14H17N3O4 — CID 3386760

IUPACN-[(2-hydroxy-5-nitrophenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)C1CCCCC1
InChIInChI=1S/C14H17N3O4/c18-13-7-6-12(17(20)21)8-11(13)9-15-16-14(19)10-4-2-1-3-5-10/h6-10,18H,1-5H2,(H,16,19)
InChIKeyYWFZWWKDPLNMRX-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.33
Rot. Bonds4

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

N-[(2-hydroxy-5-nitrophenyl)methylideneamino]cyclohexanecarboxamide (PubChem CID 3386760) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitrophenyl)methylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitrophenyl)methylideneamino]cyclohexanecarboxamide
PubChem CID3386760
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-[(2-hydroxy-5-nitrophenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)C1CCCCC1
InChIInChI=1S/C14H17N3O4/c18-13-7-6-12(17(20)21)8-11(13)9-15-16-14(19)10-4-2-1-3-5-10/h6-10,18H,1-5H2,(H,16,19)
InChIKeyYWFZWWKDPLNMRX-UHFFFAOYSA-N
XLogP2.33
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.33
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
N'-{2-hydroxy-5-nitrobenzylidene}cyclopropanecarbohydrazide
CID 135460591
N'-[(1E)-(2-Hydroxy-5-nitrophenyl)methylidene]adamantane-1-carbohydrazide
CID 86261287
2-hydroxy-N'-[(E)-(2-hydroxy-3-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135642279
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-oxopiperidine-3-carbohydrazide
CID 135650721
4-Nitro-2-[(3-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135439762
4-Nitro-2-[(2-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135403145
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]naphthalene-1-carbohydrazide
CID 135403159
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394
Benzoic acid, m-nitro-, salicylidenehydrazide
CID 135408681

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]cyclohexanecarboxamide (CID 3386760) is N-[(2-hydroxy-5-nitrophenyl)methylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]cyclohexanecarboxamide is O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)C1CCCCC1.
What is the InChIKey of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]cyclohexanecarboxamide?
The InChIKey is YWFZWWKDPLNMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c18-13-7-6-12(17(20)21)8-11(13)9-15-16-14(19)10-4-2-1-3-5-10/h6-10,18H,1-5H2,(H,16,19).
What are the key properties of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]cyclohexanecarboxamide?
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]cyclohexanecarboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 3386760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).