N-(4-nitrophenyl)-1-thiophen-2-ylmethanimine

C11H8N2O2S — CID 2840127

IUPACN-(4-nitrophenyl)-1-thiophen-2-ylmethanimine
SMILESO=[N+]([O-])c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C11H8N2O2S/c14-13(15)10-5-3-9(4-6-10)12-8-11-2-1-7-16-11/h1-8H/b12-8+
InChIKeyZDNQNPWNUJXJNB-XYOKQWHBSA-N
MW232.26 g/mol
LogP3.41
Rot. Bonds3

About N-(4-nitrophenyl)-1-thiophen-2-ylmethanimine

N-(4-nitrophenyl)-1-thiophen-2-ylmethanimine (PubChem CID 2840127) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is N-(4-nitrophenyl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(4-nitrophenyl)-1-thiophen-2-ylmethanimine
PubChem CID2840127
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC NameN-(4-nitrophenyl)-1-thiophen-2-ylmethanimine
SMILESO=[N+]([O-])c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C11H8N2O2S/c14-13(15)10-5-3-9(4-6-10)12-8-11-2-1-7-16-11/h1-8H/b12-8+
InChIKeyZDNQNPWNUJXJNB-XYOKQWHBSA-N
XLogP3.41
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.41
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(4-nitrophenyl)-1-thiophen-2-ylmethanimine (CID 2840127) is N-(4-nitrophenyl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(4-nitrophenyl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(4-nitrophenyl)-1-thiophen-2-ylmethanimine is O=[N+]([O-])c1ccc(/N=C/c2cccs2)cc1.
What is the InChIKey of N-(4-nitrophenyl)-1-thiophen-2-ylmethanimine?
The InChIKey is ZDNQNPWNUJXJNB-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H8N2O2S/c14-13(15)10-5-3-9(4-6-10)12-8-11-2-1-7-16-11/h1-8H/b12-8+.
What are the key properties of N-(4-nitrophenyl)-1-thiophen-2-ylmethanimine?
N-(4-nitrophenyl)-1-thiophen-2-ylmethanimine has a molecular weight of 232.26 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 2840127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).