furan;1-nitroethene

C6H7NO3 — CID 174571942

IUPACfuran;1-nitroethene
SMILESC=C[N+](=O)[O-].c1ccoc1
InChIInChI=1S/C4H4O.C2H3NO2/c1-2-4-5-3-1;1-2-3(4)5/h1-4H;2H,1H2
InChIKeySPFHJIPNXOCKRG-UHFFFAOYSA-N
MW141.13 g/mol
LogP1.69
Rot. Bonds1

About furan;1-nitroethene

furan;1-nitroethene (PubChem CID 174571942) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is furan;1-nitroethene.

Molecular Properties

Compound Namefuran;1-nitroethene
PubChem CID174571942
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Namefuran;1-nitroethene
SMILESC=C[N+](=O)[O-].c1ccoc1
InChIInChI=1S/C4H4O.C2H3NO2/c1-2-4-5-3-1;1-2-3(4)5/h1-4H;2H,1H2
InChIKeySPFHJIPNXOCKRG-UHFFFAOYSA-N
XLogP1.69
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 51.69
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 furan;1-nitroethene?
The IUPAC name of furan;1-nitroethene (CID 174571942) is furan;1-nitroethene.
What is the SMILES notation for furan;1-nitroethene?
The canonical SMILES for furan;1-nitroethene is C=C[N+](=O)[O-].c1ccoc1.
What is the InChIKey of furan;1-nitroethene?
The InChIKey is SPFHJIPNXOCKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O.C2H3NO2/c1-2-4-5-3-1;1-2-3(4)5/h1-4H;2H,1H2.
What are the key properties of furan;1-nitroethene?
furan;1-nitroethene has a molecular weight of 141.13 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1-nitroethene is sourced from PubChem (CID 174571942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).