1-(3-nitrothiophen-2-yl)pyrrole

C8H6N2O2S — CID 19419281

IUPAC1-(3-nitrothiophen-2-yl)pyrrole
SMILESO=[N+]([O-])c1ccsc1-n1cccc1
InChIInChI=1S/C8H6N2O2S/c11-10(12)7-3-6-13-8(7)9-4-1-2-5-9/h1-6H
InChIKeyRXMJSGLLDWFZTA-UHFFFAOYSA-N
MW194.22 g/mol
LogP2.45
Rot. Bonds2

About 1-(3-nitrothiophen-2-yl)pyrrole

1-(3-nitrothiophen-2-yl)pyrrole (PubChem CID 19419281) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-(3-nitrothiophen-2-yl)pyrrole.

Molecular Properties

Compound Name1-(3-nitrothiophen-2-yl)pyrrole
PubChem CID19419281
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name1-(3-nitrothiophen-2-yl)pyrrole
SMILESO=[N+]([O-])c1ccsc1-n1cccc1
InChIInChI=1S/C8H6N2O2S/c11-10(12)7-3-6-13-8(7)9-4-1-2-5-9/h1-6H
InChIKeyRXMJSGLLDWFZTA-UHFFFAOYSA-N
XLogP2.45
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.45
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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Related Compounds

1-(3-nitrothiophen-2-yl)pyrazole
CID 12554486
3-nitrothiophen-2-amine
CID 3830768
3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine
CID 75398510
1-(4-methyl-3-nitrophenyl)pyrrole
CID 883573
3-[2-(2-nitrophenyl)ethyl]-1,3-thiazol-2-one
CID 116622699
methyl 2-(3-nitrothiophen-2-yl)sulfanylacetate
CID 2821096
8-nitro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566551
3-nitro-2-phenylthiophene;1H-pyrrole
CID 68501206
2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene
CID 15723624
3-[(3-nitrothiophen-2-yl)methylidene]pentane-2,4-dione
CID 67842355
2-ethylsulfinyl-3-nitrothiophene
CID 23273598
1-(2,5-dimethyl-4-nitrophenyl)pyrrole
CID 103145640

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrothiophen-2-yl)pyrrole?
The IUPAC name of 1-(3-nitrothiophen-2-yl)pyrrole (CID 19419281) is 1-(3-nitrothiophen-2-yl)pyrrole.
What is the SMILES notation for 1-(3-nitrothiophen-2-yl)pyrrole?
The canonical SMILES for 1-(3-nitrothiophen-2-yl)pyrrole is O=[N+]([O-])c1ccsc1-n1cccc1.
What is the InChIKey of 1-(3-nitrothiophen-2-yl)pyrrole?
The InChIKey is RXMJSGLLDWFZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-10(12)7-3-6-13-8(7)9-4-1-2-5-9/h1-6H.
What are the key properties of 1-(3-nitrothiophen-2-yl)pyrrole?
1-(3-nitrothiophen-2-yl)pyrrole has a molecular weight of 194.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrothiophen-2-yl)pyrrole is sourced from PubChem (CID 19419281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).