2-[(1R)-2-nitro-1-phenylethyl]thiophene

C12H11NO2S — CID 134969430

IUPAC2-[(1R)-2-nitro-1-phenylethyl]thiophene
SMILESO=[N+]([O-])C[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C12H11NO2S/c14-13(15)9-11(12-7-4-8-16-12)10-5-2-1-3-6-10/h1-8,11H,9H2/t11-/m0/s1
InChIKeyZVZNMTWGKYXAEQ-NSHDSACASA-N
MW233.29 g/mol
LogP3.16
Rot. Bonds4

About 2-[(1R)-2-nitro-1-phenylethyl]thiophene

2-[(1R)-2-nitro-1-phenylethyl]thiophene (PubChem CID 134969430) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[(1R)-2-nitro-1-phenylethyl]thiophene.

Molecular Properties

Compound Name2-[(1R)-2-nitro-1-phenylethyl]thiophene
PubChem CID134969430
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-[(1R)-2-nitro-1-phenylethyl]thiophene
SMILESO=[N+]([O-])C[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C12H11NO2S/c14-13(15)9-11(12-7-4-8-16-12)10-5-2-1-3-6-10/h1-8,11H,9H2/t11-/m0/s1
InChIKeyZVZNMTWGKYXAEQ-NSHDSACASA-N
XLogP3.16
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.16
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-[(1R)-2-nitro-1-phenylethyl]thiophene?
The IUPAC name of 2-[(1R)-2-nitro-1-phenylethyl]thiophene (CID 134969430) is 2-[(1R)-2-nitro-1-phenylethyl]thiophene.
What is the SMILES notation for 2-[(1R)-2-nitro-1-phenylethyl]thiophene?
The canonical SMILES for 2-[(1R)-2-nitro-1-phenylethyl]thiophene is O=[N+]([O-])C[C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of 2-[(1R)-2-nitro-1-phenylethyl]thiophene?
The InChIKey is ZVZNMTWGKYXAEQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H11NO2S/c14-13(15)9-11(12-7-4-8-16-12)10-5-2-1-3-6-10/h1-8,11H,9H2/t11-/m0/s1.
What are the key properties of 2-[(1R)-2-nitro-1-phenylethyl]thiophene?
2-[(1R)-2-nitro-1-phenylethyl]thiophene has a molecular weight of 233.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-nitro-1-phenylethyl]thiophene is sourced from PubChem (CID 134969430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).