1-(furan-2-yl)-N-hydroperoxymethanimine

C5H5NO3 — CID 131862046

IUPAC1-(furan-2-yl)-N-hydroperoxymethanimine
SMILESOON=Cc1ccco1
InChIInChI=1S/C5H5NO3/c7-9-6-4-5-2-1-3-8-5/h1-4,7H
InChIKeyDCPXLXTZSJOAEM-UHFFFAOYSA-N
MW127.10 g/mol
LogP1.10
Rot. Bonds2

About 1-(furan-2-yl)-N-hydroperoxymethanimine

1-(furan-2-yl)-N-hydroperoxymethanimine (PubChem CID 131862046) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-hydroperoxymethanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-hydroperoxymethanimine
PubChem CID131862046
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name1-(furan-2-yl)-N-hydroperoxymethanimine
SMILESOON=Cc1ccco1
InChIInChI=1S/C5H5NO3/c7-9-6-4-5-2-1-3-8-5/h1-4,7H
InChIKeyDCPXLXTZSJOAEM-UHFFFAOYSA-N
XLogP1.10
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(furan-2-ylmethylideneamino) 4-fluorobenzoate
CID 3635698
1-(furan-2-yl)-N-oxidomethanimine
CID 135527449
1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
CID 171139142
(E)-1-(furan-2-yl)-N-trimethylsilylmethanimine
CID 10630921
1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine
CID 10015655
CID 171377962
CID 171377962
1-(furan-2-yl)-N-[(E)-prop-1-enyl]methanimine
CID 13128411
(E)-1-(furan-2-yl)-N-[(Z)-1-trimethylsilyloxyprop-1-enyl]methanimine
CID 135039350
tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate
CID 45091867
2-[(Z)-[(E)-furan-2-ylmethylidenehydrazinylidene]methyl]phenol
CID 135478746
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
(E)-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanimine
CID 46707076

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-hydroperoxymethanimine?
The IUPAC name of 1-(furan-2-yl)-N-hydroperoxymethanimine (CID 131862046) is 1-(furan-2-yl)-N-hydroperoxymethanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-hydroperoxymethanimine?
The canonical SMILES for 1-(furan-2-yl)-N-hydroperoxymethanimine is OON=Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-hydroperoxymethanimine?
The InChIKey is DCPXLXTZSJOAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c7-9-6-4-5-2-1-3-8-5/h1-4,7H.
What are the key properties of 1-(furan-2-yl)-N-hydroperoxymethanimine?
1-(furan-2-yl)-N-hydroperoxymethanimine has a molecular weight of 127.10 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-hydroperoxymethanimine is sourced from PubChem (CID 131862046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).