5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine

C10H8N2O3S — CID 102309944

IUPAC5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine
SMILESNc1ccc(/C=C/c2ccc([N+](=O)[O-])o2)s1
InChIInChI=1S/C10H8N2O3S/c11-9-5-4-8(16-9)3-1-7-2-6-10(15-7)12(13)14/h1-6H,11H2/b3-1+
InChIKeyNOHBYRKCAYMLSW-HNQUOIGGSA-N
MW236.25 g/mol
LogP3.00
Rot. Bonds3

About 5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine

5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine (PubChem CID 102309944) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine.

Molecular Properties

Compound Name5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine
PubChem CID102309944
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine
SMILESNc1ccc(/C=C/c2ccc([N+](=O)[O-])o2)s1
InChIInChI=1S/C10H8N2O3S/c11-9-5-4-8(16-9)3-1-7-2-6-10(15-7)12(13)14/h1-6H,11H2/b3-1+
InChIKeyNOHBYRKCAYMLSW-HNQUOIGGSA-N
XLogP3.00
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine?
The IUPAC name of 5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine (CID 102309944) is 5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine.
What is the SMILES notation for 5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine?
The canonical SMILES for 5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine is Nc1ccc(/C=C/c2ccc([N+](=O)[O-])o2)s1.
What is the InChIKey of 5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine?
The InChIKey is NOHBYRKCAYMLSW-HNQUOIGGSA-N. The full InChI is InChI=1S/C10H8N2O3S/c11-9-5-4-8(16-9)3-1-7-2-6-10(15-7)12(13)14/h1-6H,11H2/b3-1+.
What are the key properties of 5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine?
5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine has a molecular weight of 236.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine is sourced from PubChem (CID 102309944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).