1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol

C17H12N2O3 — CID 626145

IUPAC1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C17H12N2O3/c20-17-10-5-12-3-1-2-4-15(12)16(17)11-18-13-6-8-14(9-7-13)19(21)22/h1-11,20H/b18-11+
InChIKeyOFXWURJGINWIEW-WOJGMQOQSA-N
MW292.29 g/mol
LogP4.20
Rot. Bonds3

About 1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol

1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol (PubChem CID 626145) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol
PubChem CID626145
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C17H12N2O3/c20-17-10-5-12-3-1-2-4-15(12)16(17)11-18-13-6-8-14(9-7-13)19(21)22/h1-11,20H/b18-11+
InChIKeyOFXWURJGINWIEW-WOJGMQOQSA-N
XLogP4.20
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol (CID 626145) is 1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol is O=[N+]([O-])c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is OFXWURJGINWIEW-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-17-10-5-12-3-1-2-4-15(12)16(17)11-18-13-6-8-14(9-7-13)19(21)22/h1-11,20H/b18-11+.
What are the key properties of 1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol?
1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 292.29 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-nitrophenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 626145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).