2-cyclopropyl-5-nitrofuran

C7H7NO3 — CID 13115536

IUPAC2-cyclopropyl-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(C2CC2)o1
InChIInChI=1S/C7H7NO3/c9-8(10)7-4-3-6(11-7)5-1-2-5/h3-5H,1-2H2
InChIKeySKEHMVYRZQHJOF-UHFFFAOYSA-N
MW153.14 g/mol
LogP2.07
Rot. Bonds2

About 2-cyclopropyl-5-nitrofuran

2-cyclopropyl-5-nitrofuran (PubChem CID 13115536) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-cyclopropyl-5-nitrofuran.

Molecular Properties

Compound Name2-cyclopropyl-5-nitrofuran
PubChem CID13115536
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name2-cyclopropyl-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(C2CC2)o1
InChIInChI=1S/C7H7NO3/c9-8(10)7-4-3-6(11-7)5-1-2-5/h3-5H,1-2H2
InChIKeySKEHMVYRZQHJOF-UHFFFAOYSA-N
XLogP2.07
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 52.07
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-cyclopropyl-5-nitrofuran?
The IUPAC name of 2-cyclopropyl-5-nitrofuran (CID 13115536) is 2-cyclopropyl-5-nitrofuran.
What is the SMILES notation for 2-cyclopropyl-5-nitrofuran?
The canonical SMILES for 2-cyclopropyl-5-nitrofuran is O=[N+]([O-])c1ccc(C2CC2)o1.
What is the InChIKey of 2-cyclopropyl-5-nitrofuran?
The InChIKey is SKEHMVYRZQHJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/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-nitrofuran?
2-cyclopropyl-5-nitrofuran has a molecular weight of 153.14 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-nitrofuran is sourced from PubChem (CID 13115536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).