furan-2-carbaldehyde;nitromethane

C6H7NO4 — CID 23020378

IUPACfuran-2-carbaldehyde;nitromethane
SMILESC[N+](=O)[O-].O=Cc1ccco1
InChIInChI=1S/C5H4O2.CH3NO2/c6-4-5-2-1-3-7-5;1-2(3)4/h1-4H;1H3
InChIKeyWLARYEOTKNDODS-UHFFFAOYSA-N
MW157.12 g/mol
LogP0.99
Rot. Bonds1

About furan-2-carbaldehyde;nitromethane

furan-2-carbaldehyde;nitromethane (PubChem CID 23020378) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is furan-2-carbaldehyde;nitromethane.

Molecular Properties

Compound Namefuran-2-carbaldehyde;nitromethane
PubChem CID23020378
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Namefuran-2-carbaldehyde;nitromethane
SMILESC[N+](=O)[O-].O=Cc1ccco1
InChIInChI=1S/C5H4O2.CH3NO2/c6-4-5-2-1-3-7-5;1-2(3)4/h1-4H;1H3
InChIKeyWLARYEOTKNDODS-UHFFFAOYSA-N
XLogP0.99
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

furan-2-carbaldehyde
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furan-2-carbaldehyde;nickel
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CID 19372392
furan-2-carbaldehyde;methoxymethane
CID 175302588
furan-2-carbaldehyde phosphate
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CID 171374623
CID 171374623
formaldehyde;furan-2-carbaldehyde;propan-2-one
CID 159909330
1,1-dimethoxyethane;furan-2-carbaldehyde
CID 174905819
(Z)-3-(furan-2-yl)-2-nitroprop-2-enal
CID 59665521
ethoxymethoxymethoxyethane;furan-2-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of furan-2-carbaldehyde;nitromethane?
The IUPAC name of furan-2-carbaldehyde;nitromethane (CID 23020378) is furan-2-carbaldehyde;nitromethane.
What is the SMILES notation for furan-2-carbaldehyde;nitromethane?
The canonical SMILES for furan-2-carbaldehyde;nitromethane is C[N+](=O)[O-].O=Cc1ccco1.
What is the InChIKey of furan-2-carbaldehyde;nitromethane?
The InChIKey is WLARYEOTKNDODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2.CH3NO2/c6-4-5-2-1-3-7-5;1-2(3)4/h1-4H;1H3.
What are the key properties of furan-2-carbaldehyde;nitromethane?
furan-2-carbaldehyde;nitromethane has a molecular weight of 157.12 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carbaldehyde;nitromethane is sourced from PubChem (CID 23020378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).