3-methyl-2-(2-nitroethenyl)thiophene

C7H7NO2S — CID 54505395

IUPAC3-methyl-2-(2-nitroethenyl)thiophene
SMILESCc1ccsc1C=C[N+](=O)[O-]
InChIInChI=1S/C7H7NO2S/c1-6-3-5-11-7(6)2-4-8(9)10/h2-5H,1H3
InChIKeyYFHYTCZRPGXHCF-UHFFFAOYSA-N
MW169.20 g/mol
LogP2.30
Rot. Bonds2

About 3-methyl-2-(2-nitroethenyl)thiophene

3-methyl-2-(2-nitroethenyl)thiophene (PubChem CID 54505395) has the molecular formula C7H7NO2S and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-methyl-2-(2-nitroethenyl)thiophene.

Molecular Properties

Compound Name3-methyl-2-(2-nitroethenyl)thiophene
PubChem CID54505395
Molecular FormulaC7H7NO2S
Molecular Weight169.20 g/mol
Exact Mass169.02
IUPAC Name3-methyl-2-(2-nitroethenyl)thiophene
SMILESCc1ccsc1C=C[N+](=O)[O-]
InChIInChI=1S/C7H7NO2S/c1-6-3-5-11-7(6)2-4-8(9)10/h2-5H,1H3
InChIKeyYFHYTCZRPGXHCF-UHFFFAOYSA-N
XLogP2.30
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Thiophene, 2-(2-nitroethenyl)-
CID 687329
2-(2-Nitroprop-1-en-1-yl)thiophene
CID 1550853
2-(2-Nitro-vinyl)-thiophene
CID 95586
2-(2-Nitro-1-propen-1-yl)thiophene
CID 238234
Thiophene, 2-(2-nitro-1-propenyl)-, (Z)-
CID 708806
2-[(Z)-2-nitroethenyl]thiophene
CID 1712459
2-[(Z)-2-fluoro-2-nitroethenyl]thiophene
CID 134863017
2-[(Z)-2-bromo-2-nitroethenyl]thiophene
CID 13255487
2-[(Z)-2-chloro-2-nitroethenyl]thiophene
CID 14971167
2-[(E)-1-nitroprop-1-en-2-yl]thiophene
CID 67237190
2-Fluoro-5-(2-nitroethenyl)thiophene
CID 141280078
2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene
CID 156636051

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-nitroethenyl)thiophene?
The IUPAC name of 3-methyl-2-(2-nitroethenyl)thiophene (CID 54505395) is 3-methyl-2-(2-nitroethenyl)thiophene.
What is the SMILES notation for 3-methyl-2-(2-nitroethenyl)thiophene?
The canonical SMILES for 3-methyl-2-(2-nitroethenyl)thiophene is Cc1ccsc1C=C[N+](=O)[O-].
What is the InChIKey of 3-methyl-2-(2-nitroethenyl)thiophene?
The InChIKey is YFHYTCZRPGXHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c1-6-3-5-11-7(6)2-4-8(9)10/h2-5H,1H3.
What are the key properties of 3-methyl-2-(2-nitroethenyl)thiophene?
3-methyl-2-(2-nitroethenyl)thiophene has a molecular weight of 169.20 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-nitroethenyl)thiophene is sourced from PubChem (CID 54505395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).