N-naphthalen-1-yl-1-(4-nitrophenyl)methanimine

C17H12N2O2 — CID 623889

IUPACN-naphthalen-1-yl-1-(4-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2cccc3ccccc23)cc1
InChIInChI=1S/C17H12N2O2/c20-19(21)15-10-8-13(9-11-15)12-18-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H/b18-12+
InChIKeyQDPIWAUWWLKADK-LDADJPATSA-N
MW276.30 g/mol
LogP4.50
Rot. Bonds3

About N-naphthalen-1-yl-1-(4-nitrophenyl)methanimine

N-naphthalen-1-yl-1-(4-nitrophenyl)methanimine (PubChem CID 623889) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-naphthalen-1-yl-1-(4-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-naphthalen-1-yl-1-(4-nitrophenyl)methanimine
PubChem CID623889
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC NameN-naphthalen-1-yl-1-(4-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2cccc3ccccc23)cc1
InChIInChI=1S/C17H12N2O2/c20-19(21)15-10-8-13(9-11-15)12-18-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H/b18-12+
InChIKeyQDPIWAUWWLKADK-LDADJPATSA-N
XLogP4.50
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(4-Nitrobenzylidene)aniline
CID 136626
N-(3-Nitrobenzylidene)-P-toluidine
CID 292080
N-Benzylidene-2-naphthylamine
CID 300779
N-(2-Nitrobenzylidene)-P-toluidine
CID 794913
N-(1-naphthyl)-N-(phenylmethylene)amine
CID 1201463
N-[(E)-(4-bromo-3-nitrophenyl)methylidene]naphthalen-2-amine
CID 1247282
N-(3-Nitrobenzylidene)aniline
CID 291059
N-(3-Nitrobenzylidene)-2,5-xylidine
CID 774540
N-Phenyl-alpha-(4-nitrophenyl)nitrone
CID 6083619
4,9-Dinitrophenanthrene
CID 154727
N-(3,4-dimethylphenyl)-1-phenylmethanimine oxide
CID 10609244
2-nitro-N-phenylfluoren-9-imine
CID 224082

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1-(4-nitrophenyl)methanimine?
The IUPAC name of N-naphthalen-1-yl-1-(4-nitrophenyl)methanimine (CID 623889) is N-naphthalen-1-yl-1-(4-nitrophenyl)methanimine.
What is the SMILES notation for N-naphthalen-1-yl-1-(4-nitrophenyl)methanimine?
The canonical SMILES for N-naphthalen-1-yl-1-(4-nitrophenyl)methanimine is O=[N+]([O-])c1ccc(/C=N/c2cccc3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-1-(4-nitrophenyl)methanimine?
The InChIKey is QDPIWAUWWLKADK-LDADJPATSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-19(21)15-10-8-13(9-11-15)12-18-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H/b18-12+.
What are the key properties of N-naphthalen-1-yl-1-(4-nitrophenyl)methanimine?
N-naphthalen-1-yl-1-(4-nitrophenyl)methanimine has a molecular weight of 276.30 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1-(4-nitrophenyl)methanimine is sourced from PubChem (CID 623889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).