2-(2-methylprop-1-enyl)-5-nitrofuran

C8H9NO3 — CID 13355097

IUPAC2-(2-methylprop-1-enyl)-5-nitrofuran
SMILESCC(C)=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H9NO3/c1-6(2)5-7-3-4-8(12-7)9(10)11/h3-5H,1-2H3
InChIKeyZUEPHXHNCZDFHG-UHFFFAOYSA-N
MW167.16 g/mol
LogP2.61
Rot. Bonds2

About 2-(2-methylprop-1-enyl)-5-nitrofuran

2-(2-methylprop-1-enyl)-5-nitrofuran (PubChem CID 13355097) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)-5-nitrofuran.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)-5-nitrofuran
PubChem CID13355097
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-(2-methylprop-1-enyl)-5-nitrofuran
SMILESCC(C)=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H9NO3/c1-6(2)5-7-3-4-8(12-7)9(10)11/h3-5H,1-2H3
InChIKeyZUEPHXHNCZDFHG-UHFFFAOYSA-N
XLogP2.61
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 52.61
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

Nifuroxime
CID 5373493
Furylfuramide
CID 5280707
5-Nitrofurfural
CID 12774
3-(5-Nitro-2-furyl)acrylic acid
CID 702695
5-Nitro-2-furaldoxime
CID 6478035
Ethyl 3-(5-nitro-2-furyl)acrylate
CID 899314
5-Nitrofuryl-2-acrolein
CID 5462962
2-(Methoxymethyl)-5-nitrofuran
CID 11469
2-Nitro-5-((1E)-2-nitroethenyl)furan
CID 5355406
2-Acetyl-5-nitrofuran
CID 21348
Nsc59984
CID 5356520
5-Nitro-2-furonitrile
CID 94881

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enyl)-5-nitrofuran?
The IUPAC name of 2-(2-methylprop-1-enyl)-5-nitrofuran (CID 13355097) is 2-(2-methylprop-1-enyl)-5-nitrofuran.
What is the SMILES notation for 2-(2-methylprop-1-enyl)-5-nitrofuran?
The canonical SMILES for 2-(2-methylprop-1-enyl)-5-nitrofuran is CC(C)=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-(2-methylprop-1-enyl)-5-nitrofuran?
The InChIKey is ZUEPHXHNCZDFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-6(2)5-7-3-4-8(12-7)9(10)11/h3-5H,1-2H3.
What are the key properties of 2-(2-methylprop-1-enyl)-5-nitrofuran?
2-(2-methylprop-1-enyl)-5-nitrofuran has a molecular weight of 167.16 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)-5-nitrofuran is sourced from PubChem (CID 13355097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).