2-cyclopropyl-5-nitrothiophene

C7H7NO2S — CID 12643439

IUPAC2-cyclopropyl-5-nitrothiophene
SMILESO=[N+]([O-])c1ccc(C2CC2)s1
InChIInChI=1S/C7H7NO2S/c9-8(10)7-4-3-6(11-7)5-1-2-5/h3-5H,1-2H2
InChIKeyDTNVSUYIMUBLSX-UHFFFAOYSA-N
MW169.21 g/mol
LogP2.53
Rot. Bonds2

About 2-cyclopropyl-5-nitrothiophene

2-cyclopropyl-5-nitrothiophene (PubChem CID 12643439) has the molecular formula C7H7NO2S and a molecular weight of 169.21 g/mol. Its IUPAC name is 2-cyclopropyl-5-nitrothiophene.

Molecular Properties

Compound Name2-cyclopropyl-5-nitrothiophene
PubChem CID12643439
Molecular FormulaC7H7NO2S
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Name2-cyclopropyl-5-nitrothiophene
SMILESO=[N+]([O-])c1ccc(C2CC2)s1
InChIInChI=1S/C7H7NO2S/c9-8(10)7-4-3-6(11-7)5-1-2-5/h3-5H,1-2H2
InChIKeyDTNVSUYIMUBLSX-UHFFFAOYSA-N
XLogP2.53
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 52.53
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'}

Analyze 2-cyclopropyl-5-nitrothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-nitrothiophene?
The IUPAC name of 2-cyclopropyl-5-nitrothiophene (CID 12643439) is 2-cyclopropyl-5-nitrothiophene.
What is the SMILES notation for 2-cyclopropyl-5-nitrothiophene?
The canonical SMILES for 2-cyclopropyl-5-nitrothiophene is O=[N+]([O-])c1ccc(C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-5-nitrothiophene?
The InChIKey is DTNVSUYIMUBLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c9-8(10)7-4-3-6(11-7)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 2-cyclopropyl-5-nitrothiophene?
2-cyclopropyl-5-nitrothiophene has a molecular weight of 169.21 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-nitrothiophene is sourced from PubChem (CID 12643439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).