3-[(E)-2-nitrosoethenyl]furan

C6H5NO2 — CID 89295509

IUPAC3-[(E)-2-nitrosoethenyl]furan
SMILESO=N/C=C/c1ccoc1
InChIInChI=1S/C6H5NO2/c8-7-3-1-6-2-4-9-5-6/h1-5H/b3-1+
InChIKeyGSGWDWCOFGNPJI-HNQUOIGGSA-N
MW123.11 g/mol
LogP2.02
Rot. Bonds2

About 3-[(E)-2-nitrosoethenyl]furan

3-[(E)-2-nitrosoethenyl]furan (PubChem CID 89295509) has the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol. Its IUPAC name is 3-[(E)-2-nitrosoethenyl]furan.

Molecular Properties

Compound Name3-[(E)-2-nitrosoethenyl]furan
PubChem CID89295509
Molecular FormulaC6H5NO2
Molecular Weight123.11 g/mol
Exact Mass123.03
IUPAC Name3-[(E)-2-nitrosoethenyl]furan
SMILESO=N/C=C/c1ccoc1
InChIInChI=1S/C6H5NO2/c8-7-3-1-6-2-4-9-5-6/h1-5H/b3-1+
InChIKeyGSGWDWCOFGNPJI-HNQUOIGGSA-N
XLogP2.02
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-nitrosoethenyl]furan?
The IUPAC name of 3-[(E)-2-nitrosoethenyl]furan (CID 89295509) is 3-[(E)-2-nitrosoethenyl]furan.
What is the SMILES notation for 3-[(E)-2-nitrosoethenyl]furan?
The canonical SMILES for 3-[(E)-2-nitrosoethenyl]furan is O=N/C=C/c1ccoc1.
What is the InChIKey of 3-[(E)-2-nitrosoethenyl]furan?
The InChIKey is GSGWDWCOFGNPJI-HNQUOIGGSA-N. The full InChI is InChI=1S/C6H5NO2/c8-7-3-1-6-2-4-9-5-6/h1-5H/b3-1+.
What are the key properties of 3-[(E)-2-nitrosoethenyl]furan?
3-[(E)-2-nitrosoethenyl]furan has a molecular weight of 123.11 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-nitrosoethenyl]furan is sourced from PubChem (CID 89295509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).