furan-3-carbaldehyde;3-(2-nitroethenyl)furan

C11H9NO5 — CID 160844101

IUPACfuran-3-carbaldehyde;3-(2-nitroethenyl)furan
SMILESO=Cc1ccoc1.O=[N+]([O-])C=Cc1ccoc1
InChIInChI=1S/C6H5NO3.C5H4O2/c8-7(9)3-1-6-2-4-10-5-6;6-3-5-1-2-7-4-5/h1-5H;1-4H
InChIKeySIKKROHDVYRTMT-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.62
Rot. Bonds3

About furan-3-carbaldehyde;3-(2-nitroethenyl)furan

furan-3-carbaldehyde;3-(2-nitroethenyl)furan (PubChem CID 160844101) has the molecular formula C11H9NO5 and a molecular weight of 235.20 g/mol. Its IUPAC name is furan-3-carbaldehyde;3-(2-nitroethenyl)furan.

Molecular Properties

Compound Namefuran-3-carbaldehyde;3-(2-nitroethenyl)furan
PubChem CID160844101
Molecular FormulaC11H9NO5
Molecular Weight235.20 g/mol
Exact Mass235.05
IUPAC Namefuran-3-carbaldehyde;3-(2-nitroethenyl)furan
SMILESO=Cc1ccoc1.O=[N+]([O-])C=Cc1ccoc1
InChIInChI=1S/C6H5NO3.C5H4O2/c8-7(9)3-1-6-2-4-10-5-6;6-3-5-1-2-7-4-5/h1-5H;1-4H
InChIKeySIKKROHDVYRTMT-UHFFFAOYSA-N
XLogP2.62
TPSA86.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-3-carbaldehyde;3-(2-nitroethenyl)furan?
The IUPAC name of furan-3-carbaldehyde;3-(2-nitroethenyl)furan (CID 160844101) is furan-3-carbaldehyde;3-(2-nitroethenyl)furan.
What is the SMILES notation for furan-3-carbaldehyde;3-(2-nitroethenyl)furan?
The canonical SMILES for furan-3-carbaldehyde;3-(2-nitroethenyl)furan is O=Cc1ccoc1.O=[N+]([O-])C=Cc1ccoc1.
What is the InChIKey of furan-3-carbaldehyde;3-(2-nitroethenyl)furan?
The InChIKey is SIKKROHDVYRTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3.C5H4O2/c8-7(9)3-1-6-2-4-10-5-6;6-3-5-1-2-7-4-5/h1-5H;1-4H.
What are the key properties of furan-3-carbaldehyde;3-(2-nitroethenyl)furan?
furan-3-carbaldehyde;3-(2-nitroethenyl)furan has a molecular weight of 235.20 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-carbaldehyde;3-(2-nitroethenyl)furan is sourced from PubChem (CID 160844101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).