1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol

C17H13N3O3 — CID 135400357

IUPAC1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C17H13N3O3/c21-17-10-5-12-3-1-2-4-15(12)16(17)11-18-19-13-6-8-14(9-7-13)20(22)23/h1-11,19,21H/b18-11+
InChIKeyYYOIHJYAMLJWBA-WOJGMQOQSA-N
MW307.31 g/mol
LogP3.90
Rot. Bonds4

About 1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol

1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 135400357) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID135400357
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C17H13N3O3/c21-17-10-5-12-3-1-2-4-15(12)16(17)11-18-19-13-6-8-14(9-7-13)20(22)23/h1-11,19,21H/b18-11+
InChIKeyYYOIHJYAMLJWBA-WOJGMQOQSA-N
XLogP3.90
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.90
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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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol (CID 135400357) is 1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol is O=[N+]([O-])c1ccc(N/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is YYOIHJYAMLJWBA-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-17-10-5-12-3-1-2-4-15(12)16(17)11-18-19-13-6-8-14(9-7-13)20(22)23/h1-11,19,21H/b18-11+.
What are the key properties of 1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol?
1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 307.31 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 135400357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).