2-cyclopropyl-5-methyl-3-nitrothiophene

C8H9NO2S — CID 12643440

IUPAC2-cyclopropyl-5-methyl-3-nitrothiophene
SMILESCc1cc([N+](=O)[O-])c(C2CC2)s1
InChIInChI=1S/C8H9NO2S/c1-5-4-7(9(10)11)8(12-5)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeyMHMYPIRJQPCKOD-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.84
Rot. Bonds2

About 2-cyclopropyl-5-methyl-3-nitrothiophene

2-cyclopropyl-5-methyl-3-nitrothiophene (PubChem CID 12643440) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-3-nitrothiophene.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-3-nitrothiophene
PubChem CID12643440
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2-cyclopropyl-5-methyl-3-nitrothiophene
SMILESCc1cc([N+](=O)[O-])c(C2CC2)s1
InChIInChI=1S/C8H9NO2S/c1-5-4-7(9(10)11)8(12-5)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeyMHMYPIRJQPCKOD-UHFFFAOYSA-N
XLogP2.84
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.84
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

2,5-Dimethyl-3-nitrothiophene
CID 12626347
2-Methyl-5-(4-nitrophenyl)thiophene
CID 44127116
2-Cyclohexyl-3-nitrothiophene
CID 46210762
2-Methyl-5-(3-nitrophenyl)thiophene
CID 125453517
2-Methyl-5-(2-nitrophenyl)thiophene
CID 13413492
5-Bromo-3-nitro-2-cyclopropylthiophene
CID 12643438
2-Cyclopropyl-5-nitrothiophene
CID 12643439
5-Benzyl-3-nitro-2-thiophenthiol
CID 14943698
2-Heptyl-3-nitrothiophene
CID 46210757
2-Butyl-5-(4-nitrophenyl)thiophene
CID 101452805
2-Cyclopropyl-3-nitrothiophene
CID 129878967
(2Z)-2-(aminothioxomethyl)-3-(5-butyl-4-nitro(2-thienyl))prop-2-enenitrile
CID 2255686

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-3-nitrothiophene?
The IUPAC name of 2-cyclopropyl-5-methyl-3-nitrothiophene (CID 12643440) is 2-cyclopropyl-5-methyl-3-nitrothiophene.
What is the SMILES notation for 2-cyclopropyl-5-methyl-3-nitrothiophene?
The canonical SMILES for 2-cyclopropyl-5-methyl-3-nitrothiophene is Cc1cc([N+](=O)[O-])c(C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-5-methyl-3-nitrothiophene?
The InChIKey is MHMYPIRJQPCKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-5-4-7(9(10)11)8(12-5)6-2-3-6/h4,6H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-5-methyl-3-nitrothiophene?
2-cyclopropyl-5-methyl-3-nitrothiophene has a molecular weight of 183.23 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-3-nitrothiophene is sourced from PubChem (CID 12643440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).