2-[(E)-1-nitroprop-1-en-2-yl]thiophene

C7H7NO2S — CID 67237190

IUPAC2-[(E)-1-nitroprop-1-en-2-yl]thiophene
SMILESC/C(=C\[N+](=O)[O-])c1cccs1
InChIInChI=1S/C7H7NO2S/c1-6(5-8(9)10)7-3-2-4-11-7/h2-5H,1H3/b6-5+
InChIKeySDCRXQRYCCWCME-AATRIKPKSA-N
MW169.20 g/mol
LogP2.39
Rot. Bonds2

About 2-[(E)-1-nitroprop-1-en-2-yl]thiophene

2-[(E)-1-nitroprop-1-en-2-yl]thiophene (PubChem CID 67237190) has the molecular formula C7H7NO2S and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-[(E)-1-nitroprop-1-en-2-yl]thiophene.

Molecular Properties

Compound Name2-[(E)-1-nitroprop-1-en-2-yl]thiophene
PubChem CID67237190
Molecular FormulaC7H7NO2S
Molecular Weight169.20 g/mol
Exact Mass169.02
IUPAC Name2-[(E)-1-nitroprop-1-en-2-yl]thiophene
SMILESC/C(=C\[N+](=O)[O-])c1cccs1
InChIInChI=1S/C7H7NO2S/c1-6(5-8(9)10)7-3-2-4-11-7/h2-5H,1H3/b6-5+
InChIKeySDCRXQRYCCWCME-AATRIKPKSA-N
XLogP2.39
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 ≤ 52.39
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
Thiophene, 2-(2-nitroethyl)-
CID 11105610
2-[(Z)-2-fluoro-2-nitroethenyl]thiophene
CID 134863017
3-Methyl-2-(2-nitrovinyl)thiophene
CID 54505395
2-(1-Nitropropan-2-yl)thiophene
CID 12176586
2-[(Z)-2-bromo-2-nitroethenyl]thiophene
CID 13255487
2-(2-Nitropropyl)thiophene
CID 14451950

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-nitroprop-1-en-2-yl]thiophene?
The IUPAC name of 2-[(E)-1-nitroprop-1-en-2-yl]thiophene (CID 67237190) is 2-[(E)-1-nitroprop-1-en-2-yl]thiophene.
What is the SMILES notation for 2-[(E)-1-nitroprop-1-en-2-yl]thiophene?
The canonical SMILES for 2-[(E)-1-nitroprop-1-en-2-yl]thiophene is C/C(=C\[N+](=O)[O-])c1cccs1.
What is the InChIKey of 2-[(E)-1-nitroprop-1-en-2-yl]thiophene?
The InChIKey is SDCRXQRYCCWCME-AATRIKPKSA-N. The full InChI is InChI=1S/C7H7NO2S/c1-6(5-8(9)10)7-3-2-4-11-7/h2-5H,1H3/b6-5+.
What are the key properties of 2-[(E)-1-nitroprop-1-en-2-yl]thiophene?
2-[(E)-1-nitroprop-1-en-2-yl]thiophene has a molecular weight of 169.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-nitroprop-1-en-2-yl]thiophene is sourced from PubChem (CID 67237190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).