5-nitro-1-(2-thiophen-2-ylethyl)indole

C14H12N2O2S — CID 116619096

IUPAC5-nitro-1-(2-thiophen-2-ylethyl)indole
SMILESO=[N+]([O-])c1ccc2c(ccn2CCc2cccs2)c1
InChIInChI=1S/C14H12N2O2S/c17-16(18)12-3-4-14-11(10-12)5-7-15(14)8-6-13-2-1-9-19-13/h1-5,7,9-10H,6,8H2
InChIKeyVXLTZZGMUWMQCP-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.85
Rot. Bonds4

About 5-nitro-1-(2-thiophen-2-ylethyl)indole

5-nitro-1-(2-thiophen-2-ylethyl)indole (PubChem CID 116619096) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-nitro-1-(2-thiophen-2-ylethyl)indole.

Molecular Properties

Compound Name5-nitro-1-(2-thiophen-2-ylethyl)indole
PubChem CID116619096
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name5-nitro-1-(2-thiophen-2-ylethyl)indole
SMILESO=[N+]([O-])c1ccc2c(ccn2CCc2cccs2)c1
InChIInChI=1S/C14H12N2O2S/c17-16(18)12-3-4-14-11(10-12)5-7-15(14)8-6-13-2-1-9-19-13/h1-5,7,9-10H,6,8H2
InChIKeyVXLTZZGMUWMQCP-UHFFFAOYSA-N
XLogP3.85
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-nitro-1-(2-thiophen-2-ylethyl)indole?
The IUPAC name of 5-nitro-1-(2-thiophen-2-ylethyl)indole (CID 116619096) is 5-nitro-1-(2-thiophen-2-ylethyl)indole.
What is the SMILES notation for 5-nitro-1-(2-thiophen-2-ylethyl)indole?
The canonical SMILES for 5-nitro-1-(2-thiophen-2-ylethyl)indole is O=[N+]([O-])c1ccc2c(ccn2CCc2cccs2)c1.
What is the InChIKey of 5-nitro-1-(2-thiophen-2-ylethyl)indole?
The InChIKey is VXLTZZGMUWMQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-16(18)12-3-4-14-11(10-12)5-7-15(14)8-6-13-2-1-9-19-13/h1-5,7,9-10H,6,8H2.
What are the key properties of 5-nitro-1-(2-thiophen-2-ylethyl)indole?
5-nitro-1-(2-thiophen-2-ylethyl)indole has a molecular weight of 272.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-(2-thiophen-2-ylethyl)indole is sourced from PubChem (CID 116619096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).