4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol

C10H11N5O3 — CID 177469296

IUPAC4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol
SMILESO=[N+]([O-])c1cc(/C=N/NC2=NCCN2)ccc1O
InChIInChI=1S/C10H11N5O3/c16-9-2-1-7(5-8(9)15(17)18)6-13-14-10-11-3-4-12-10/h1-2,5-6,16H,3-4H2,(H2,11,12,14)/b13-6+
InChIKeyJVNFCYCYVURJJX-AWNIVKPZSA-N
MW249.23 g/mol
LogP0.18
Rot. Bonds3

About 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol

4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol (PubChem CID 177469296) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol.

Molecular Properties

Compound Name4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol
PubChem CID177469296
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol
SMILESO=[N+]([O-])c1cc(/C=N/NC2=NCCN2)ccc1O
InChIInChI=1S/C10H11N5O3/c16-9-2-1-7(5-8(9)15(17)18)6-13-14-10-11-3-4-12-10/h1-2,5-6,16H,3-4H2,(H2,11,12,14)/b13-6+
InChIKeyJVNFCYCYVURJJX-AWNIVKPZSA-N
XLogP0.18
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135570869
5-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 136732944
4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-nitrophenol
CID 135583629
N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 140896143
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol
CID 136704830
4-[(E)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-2-nitrophenol
CID 137069778
5-chloro-4-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 3476263
1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine
CID 137255813
methyl N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 135730415
2-nitro-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135622227
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813962
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813963

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol?
The IUPAC name of 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol (CID 177469296) is 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol.
What is the SMILES notation for 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol?
The canonical SMILES for 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol is O=[N+]([O-])c1cc(/C=N/NC2=NCCN2)ccc1O.
What is the InChIKey of 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol?
The InChIKey is JVNFCYCYVURJJX-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H11N5O3/c16-9-2-1-7(5-8(9)15(17)18)6-13-14-10-11-3-4-12-10/h1-2,5-6,16H,3-4H2,(H2,11,12,14)/b13-6+.
What are the key properties of 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol?
4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol has a molecular weight of 249.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol is sourced from PubChem (CID 177469296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).