2-(2-nitrocyclohexyl)thiophene

C10H13NO2S — CID 15893520

IUPAC2-(2-nitrocyclohexyl)thiophene
SMILESO=[N+]([O-])C1CCCCC1c1cccs1
InChIInChI=1S/C10H13NO2S/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h3,6-9H,1-2,4-5H2
InChIKeyLRQCLFMTLYJUCP-UHFFFAOYSA-N
MW211.29 g/mol
LogP3.05
Rot. Bonds2

About 2-(2-nitrocyclohexyl)thiophene

2-(2-nitrocyclohexyl)thiophene (PubChem CID 15893520) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(2-nitrocyclohexyl)thiophene.

Molecular Properties

Compound Name2-(2-nitrocyclohexyl)thiophene
PubChem CID15893520
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-(2-nitrocyclohexyl)thiophene
SMILESO=[N+]([O-])C1CCCCC1c1cccs1
InChIInChI=1S/C10H13NO2S/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h3,6-9H,1-2,4-5H2
InChIKeyLRQCLFMTLYJUCP-UHFFFAOYSA-N
XLogP3.05
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 53.05
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-(2-nitrocyclohexyl)thiophene?
The IUPAC name of 2-(2-nitrocyclohexyl)thiophene (CID 15893520) is 2-(2-nitrocyclohexyl)thiophene.
What is the SMILES notation for 2-(2-nitrocyclohexyl)thiophene?
The canonical SMILES for 2-(2-nitrocyclohexyl)thiophene is O=[N+]([O-])C1CCCCC1c1cccs1.
What is the InChIKey of 2-(2-nitrocyclohexyl)thiophene?
The InChIKey is LRQCLFMTLYJUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h3,6-9H,1-2,4-5H2.
What are the key properties of 2-(2-nitrocyclohexyl)thiophene?
2-(2-nitrocyclohexyl)thiophene has a molecular weight of 211.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrocyclohexyl)thiophene is sourced from PubChem (CID 15893520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).