2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate

C14H18N3O3- — CID 7244718

IUPAC2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate
SMILESO=[N+]([O-])c1ccc([O-])c(/C=N\NCC2CCCCC2)c1
InChIInChI=1S/C14H19N3O3/c18-14-7-6-13(17(19)20)8-12(14)10-16-15-9-11-4-2-1-3-5-11/h6-8,10-11,15,18H,1-5,9H2/p-1/b16-10-
InChIKeyIOMBLYOQXVTJCG-YBEGLDIGSA-M
MW276.32 g/mol
LogP2.17
Rot. Bonds5

About 2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate

2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate (PubChem CID 7244718) has the molecular formula C14H18N3O3- and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate.

Molecular Properties

Compound Name2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate
PubChem CID7244718
Molecular FormulaC14H18N3O3-
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate
SMILESO=[N+]([O-])c1ccc([O-])c(/C=N\NCC2CCCCC2)c1
InChIInChI=1S/C14H19N3O3/c18-14-7-6-13(17(19)20)8-12(14)10-16-15-9-11-4-2-1-3-5-11/h6-8,10-11,15,18H,1-5,9H2/p-1/b16-10-
InChIKeyIOMBLYOQXVTJCG-YBEGLDIGSA-M
XLogP2.17
TPSA90.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6712093
2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde
CID 142621685
2-(benzyliminomethyl)-4-nitrophenolate
CID 2185214
4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
CID 7311295
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397
2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]-4-nitrophenolate
CID 6993529
4-nitro-2-(prop-2-ynyliminomethyl)phenolate
CID 7608898
2-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 9058300
2-[(1-ethoxycarbonylpiperidin-4-yl)iminomethyl]-4-nitrophenolate
CID 7611658
4-nitro-2-[(4-piperidin-1-ylphenyl)iminomethyl]phenolate
CID 7568863
2-amino-N-(cyclohexylmethyl)-5-nitrobenzamide
CID 62154778
N-(cyclopentylmethyl)-2-(difluoromethyl)-4-nitroaniline
CID 63750415

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate?
The IUPAC name of 2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate (CID 7244718) is 2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate.
What is the SMILES notation for 2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate?
The canonical SMILES for 2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate is O=[N+]([O-])c1ccc([O-])c(/C=N\NCC2CCCCC2)c1.
What is the InChIKey of 2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate?
The InChIKey is IOMBLYOQXVTJCG-YBEGLDIGSA-M. The full InChI is InChI=1S/C14H19N3O3/c18-14-7-6-13(17(19)20)8-12(14)10-16-15-9-11-4-2-1-3-5-11/h6-8,10-11,15,18H,1-5,9H2/p-1/b16-10-.
What are the key properties of 2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate?
2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate has a molecular weight of 276.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate is sourced from PubChem (CID 7244718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).