2-[(Z)-2-nitroprop-1-enyl]thiophene

C7H7NO2S — CID 708806

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

About 2-[(Z)-2-nitroprop-1-enyl]thiophene

2-[(Z)-2-nitroprop-1-enyl]thiophene (PubChem CID 708806) has the molecular formula C7H7NO2S and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-[(Z)-2-nitroprop-1-enyl]thiophene.

Molecular Properties

Compound Name2-[(Z)-2-nitroprop-1-enyl]thiophene
PubChem CID708806
Molecular FormulaC7H7NO2S
Molecular Weight169.20 g/mol
Exact Mass169.02
IUPAC Name2-[(Z)-2-nitroprop-1-enyl]thiophene
SMILESC/C(=C/c1cccs1)[N+](=O)[O-]
InChIInChI=1S/C7H7NO2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5-
InChIKeyHMPLFCAOIJOKGX-WAYWQWQTSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-nitroprop-1-enyl]thiophene?
The IUPAC name of 2-[(Z)-2-nitroprop-1-enyl]thiophene (CID 708806) is 2-[(Z)-2-nitroprop-1-enyl]thiophene.
What is the SMILES notation for 2-[(Z)-2-nitroprop-1-enyl]thiophene?
The canonical SMILES for 2-[(Z)-2-nitroprop-1-enyl]thiophene is C/C(=C/c1cccs1)[N+](=O)[O-].
What is the InChIKey of 2-[(Z)-2-nitroprop-1-enyl]thiophene?
The InChIKey is HMPLFCAOIJOKGX-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H7NO2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5-.
What are the key properties of 2-[(Z)-2-nitroprop-1-enyl]thiophene?
2-[(Z)-2-nitroprop-1-enyl]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-[(Z)-2-nitroprop-1-enyl]thiophene is sourced from PubChem (CID 708806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).