(Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine

C12H8N4O5 — CID 6435289

IUPAC(Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N\N=C/c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C12H8N4O5/c17-15(18)11-4-2-1-3-9(11)7-13-14-8-10-5-6-12(21-10)16(19)20/h1-8H/b13-7-,14-8-
InChIKeyZKYKYDRCSIVBCD-PVRNWPCDSA-N
MW288.22 g/mol
LogP2.55
Rot. Bonds5

About (Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine

(Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine (PubChem CID 6435289) has the molecular formula C12H8N4O5 and a molecular weight of 288.22 g/mol. Its IUPAC name is (Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine
PubChem CID6435289
Molecular FormulaC12H8N4O5
Molecular Weight288.22 g/mol
Exact Mass288.05
IUPAC Name(Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N\N=C/c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C12H8N4O5/c17-15(18)11-4-2-1-3-9(11)7-13-14-8-10-5-6-12(21-10)16(19)20/h1-8H/b13-7-,14-8-
InChIKeyZKYKYDRCSIVBCD-PVRNWPCDSA-N
XLogP2.55
TPSA124.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
2-[(5-nitrofuran-2-yl)methylideneamino]benzonitrile
CID 71626899
(Z)-N-[(Z)-(2-nitrophenyl)methylideneamino]fluoren-9-imine
CID 5408346
N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine
CID 2732920
(E)-3-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)prop-2-enal
CID 88837432
N-methyl-N-[(2-nitrophenyl)methylideneamino]methanamine
CID 78408891
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
N-[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6893438
N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-3,4-dihydropyrazol-5-imine
CID 2905175
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine
CID 5339902
N-[(2-nitrophenyl)methylideneamino]formamide
CID 2795189

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine?
The IUPAC name of (Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine (CID 6435289) is (Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine.
What is the SMILES notation for (Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine?
The canonical SMILES for (Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine is O=[N+]([O-])c1ccc(/C=N\N=C/c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of (Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine?
The InChIKey is ZKYKYDRCSIVBCD-PVRNWPCDSA-N. The full InChI is InChI=1S/C12H8N4O5/c17-15(18)11-4-2-1-3-9(11)7-13-14-8-10-5-6-12(21-10)16(19)20/h1-8H/b13-7-,14-8-.
What are the key properties of (Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine?
(Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine has a molecular weight of 288.22 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine is sourced from PubChem (CID 6435289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).