2-[(2R)-1-nitrobutan-2-yl]thiophene

C8H11NO2S — CID 11423996

IUPAC2-[(2R)-1-nitrobutan-2-yl]thiophene
SMILESCC[C@H](C[N+](=O)[O-])c1cccs1
InChIInChI=1S/C8H11NO2S/c1-2-7(6-9(10)11)8-4-3-5-12-8/h3-5,7H,2,6H2,1H3/t7-/m1/s1
InChIKeyFEKYNFLQZKYOGY-SSDOTTSWSA-N
MW185.25 g/mol
LogP2.52
Rot. Bonds4

About 2-[(2R)-1-nitrobutan-2-yl]thiophene

2-[(2R)-1-nitrobutan-2-yl]thiophene (PubChem CID 11423996) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-[(2R)-1-nitrobutan-2-yl]thiophene.

Molecular Properties

Compound Name2-[(2R)-1-nitrobutan-2-yl]thiophene
PubChem CID11423996
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-[(2R)-1-nitrobutan-2-yl]thiophene
SMILESCC[C@H](C[N+](=O)[O-])c1cccs1
InChIInChI=1S/C8H11NO2S/c1-2-7(6-9(10)11)8-4-3-5-12-8/h3-5,7H,2,6H2,1H3/t7-/m1/s1
InChIKeyFEKYNFLQZKYOGY-SSDOTTSWSA-N
XLogP2.52
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 52.52
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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2-(1-Nitropropan-2-yl)thiophene
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2-(2-Nitrocyclohexyl)thiophene
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2-(1-Nitropent-4-en-2-yl)thiophene
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2-(1-Nitrobutan-2-yl)thiophene
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AG-H-20477
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-nitrobutan-2-yl]thiophene?
The IUPAC name of 2-[(2R)-1-nitrobutan-2-yl]thiophene (CID 11423996) is 2-[(2R)-1-nitrobutan-2-yl]thiophene.
What is the SMILES notation for 2-[(2R)-1-nitrobutan-2-yl]thiophene?
The canonical SMILES for 2-[(2R)-1-nitrobutan-2-yl]thiophene is CC[C@H](C[N+](=O)[O-])c1cccs1.
What is the InChIKey of 2-[(2R)-1-nitrobutan-2-yl]thiophene?
The InChIKey is FEKYNFLQZKYOGY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-2-7(6-9(10)11)8-4-3-5-12-8/h3-5,7H,2,6H2,1H3/t7-/m1/s1.
What are the key properties of 2-[(2R)-1-nitrobutan-2-yl]thiophene?
2-[(2R)-1-nitrobutan-2-yl]thiophene has a molecular weight of 185.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-nitrobutan-2-yl]thiophene is sourced from PubChem (CID 11423996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).