2-[(E)-2-nitro-1-phenylethenyl]thiophene

C12H9NO2S — CID 134890415

IUPAC2-[(E)-2-nitro-1-phenylethenyl]thiophene
SMILESO=[N+]([O-])/C=C(\c1ccccc1)c1cccs1
InChIInChI=1S/C12H9NO2S/c14-13(15)9-11(12-7-4-8-16-12)10-5-2-1-3-6-10/h1-9H/b11-9+
InChIKeyVFNHCPOSKUWHCL-PKNBQFBNSA-N
MW231.28 g/mol
LogP3.41
Rot. Bonds3

About 2-[(E)-2-nitro-1-phenylethenyl]thiophene

2-[(E)-2-nitro-1-phenylethenyl]thiophene (PubChem CID 134890415) has the molecular formula C12H9NO2S and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-[(E)-2-nitro-1-phenylethenyl]thiophene.

Molecular Properties

Compound Name2-[(E)-2-nitro-1-phenylethenyl]thiophene
PubChem CID134890415
Molecular FormulaC12H9NO2S
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC Name2-[(E)-2-nitro-1-phenylethenyl]thiophene
SMILESO=[N+]([O-])/C=C(\c1ccccc1)c1cccs1
InChIInChI=1S/C12H9NO2S/c14-13(15)9-11(12-7-4-8-16-12)10-5-2-1-3-6-10/h1-9H/b11-9+
InChIKeyVFNHCPOSKUWHCL-PKNBQFBNSA-N
XLogP3.41
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 53.41
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

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7-fluoro-3-[(E)-2-nitroethenyl]-1-benzothiophene
CID 90061481
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CID 123628385
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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-nitro-1-phenylethenyl]thiophene?
The IUPAC name of 2-[(E)-2-nitro-1-phenylethenyl]thiophene (CID 134890415) is 2-[(E)-2-nitro-1-phenylethenyl]thiophene.
What is the SMILES notation for 2-[(E)-2-nitro-1-phenylethenyl]thiophene?
The canonical SMILES for 2-[(E)-2-nitro-1-phenylethenyl]thiophene is O=[N+]([O-])/C=C(\c1ccccc1)c1cccs1.
What is the InChIKey of 2-[(E)-2-nitro-1-phenylethenyl]thiophene?
The InChIKey is VFNHCPOSKUWHCL-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H9NO2S/c14-13(15)9-11(12-7-4-8-16-12)10-5-2-1-3-6-10/h1-9H/b11-9+.
What are the key properties of 2-[(E)-2-nitro-1-phenylethenyl]thiophene?
2-[(E)-2-nitro-1-phenylethenyl]thiophene has a molecular weight of 231.28 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-nitro-1-phenylethenyl]thiophene is sourced from PubChem (CID 134890415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).