N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine

C13H12N2O3 — CID 23825355

IUPACN-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine
SMILESCCc1ccc(/N=C/c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C13H12N2O3/c1-2-10-3-5-11(6-4-10)14-9-12-7-8-13(18-12)15(16)17/h3-9H,2H2,1H3/b14-9+
InChIKeyVGXZLSHLMHJNPX-NTEUORMPSA-N
MW244.25 g/mol
LogP3.50
Rot. Bonds4

About N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine

N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine (PubChem CID 23825355) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine
PubChem CID23825355
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine
SMILESCCc1ccc(/N=C/c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C13H12N2O3/c1-2-10-3-5-11(6-4-10)14-9-12-7-8-13(18-12)15(16)17/h3-9H,2H2,1H3/b14-9+
InChIKeyVGXZLSHLMHJNPX-NTEUORMPSA-N
XLogP3.50
TPSA68.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
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'}

Analyze N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-nitrofuran-2-yl)methylideneamino]aniline
CID 54597944
N-(3,4-dimethoxyphenyl)-1-(5-nitrofuran-2-yl)methanimine
CID 71329734
ethyl 2-[(5-nitrofuran-2-yl)methylideneamino]benzoate
CID 122707400
N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine
CID 2732920
2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide
CID 8871485
4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
CID 9088099
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine
CID 4576176
2-[(5-nitrofuran-2-yl)methylideneamino]benzonitrile
CID 71626899
(4-ethylphenyl) 5-nitrofuran-2-carboxylate
CID 47097105
4-ethyl-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43764272
2-[chloro-(4-ethylphenyl)methyl]-5-nitrofuran
CID 61086008
2-[bromo-(4-ethylphenyl)methyl]-5-nitrofuran
CID 61098126

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine?
The IUPAC name of N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine (CID 23825355) is N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine.
What is the SMILES notation for N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine?
The canonical SMILES for N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine is CCc1ccc(/N=C/c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine?
The InChIKey is VGXZLSHLMHJNPX-NTEUORMPSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-2-10-3-5-11(6-4-10)14-9-12-7-8-13(18-12)15(16)17/h3-9H,2H2,1H3/b14-9+.
What are the key properties of N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine?
N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine has a molecular weight of 244.25 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine is sourced from PubChem (CID 23825355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).