3-nitro-1-(thiophen-2-ylmethyl)pyrrole

C9H8N2O2S — CID 14910433

IUPAC3-nitro-1-(thiophen-2-ylmethyl)pyrrole
SMILESO=[N+]([O-])c1ccn(Cc2cccs2)c1
InChIInChI=1S/C9H8N2O2S/c12-11(13)8-3-4-10(6-8)7-9-2-1-5-14-9/h1-6H,7H2
InChIKeyZWKQOQPIVXJSOY-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.51
Rot. Bonds3

About 3-nitro-1-(thiophen-2-ylmethyl)pyrrole

3-nitro-1-(thiophen-2-ylmethyl)pyrrole (PubChem CID 14910433) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-nitro-1-(thiophen-2-ylmethyl)pyrrole.

Molecular Properties

Compound Name3-nitro-1-(thiophen-2-ylmethyl)pyrrole
PubChem CID14910433
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name3-nitro-1-(thiophen-2-ylmethyl)pyrrole
SMILESO=[N+]([O-])c1ccn(Cc2cccs2)c1
InChIInChI=1S/C9H8N2O2S/c12-11(13)8-3-4-10(6-8)7-9-2-1-5-14-9/h1-6H,7H2
InChIKeyZWKQOQPIVXJSOY-UHFFFAOYSA-N
XLogP2.51
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.51
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

4-bromo-3-nitro-1-(thiophen-2-ylmethyl)pyrazole
CID 61059275
N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79105246
5-nitro-1-(2-thiophen-2-ylethyl)indole
CID 116619096
4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 23104820
5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 61146262
4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911576
N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432789
1-(4-nitropyrazol-1-yl)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60900852
ethane;4-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbonitrile
CID 143529548
2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66407049
1-(4-nitrophenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium
CID 7060343
1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
CID 11137952

Frequently Asked Questions

What is the IUPAC name of 3-nitro-1-(thiophen-2-ylmethyl)pyrrole?
The IUPAC name of 3-nitro-1-(thiophen-2-ylmethyl)pyrrole (CID 14910433) is 3-nitro-1-(thiophen-2-ylmethyl)pyrrole.
What is the SMILES notation for 3-nitro-1-(thiophen-2-ylmethyl)pyrrole?
The canonical SMILES for 3-nitro-1-(thiophen-2-ylmethyl)pyrrole is O=[N+]([O-])c1ccn(Cc2cccs2)c1.
What is the InChIKey of 3-nitro-1-(thiophen-2-ylmethyl)pyrrole?
The InChIKey is ZWKQOQPIVXJSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-11(13)8-3-4-10(6-8)7-9-2-1-5-14-9/h1-6H,7H2.
What are the key properties of 3-nitro-1-(thiophen-2-ylmethyl)pyrrole?
3-nitro-1-(thiophen-2-ylmethyl)pyrrole has a molecular weight of 208.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-1-(thiophen-2-ylmethyl)pyrrole is sourced from PubChem (CID 14910433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).