bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper

C20H16CuN4O8 — CID 135436493

IUPACbis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper
SMILESO/N=C(C(=N/O)/c1ccco1)\c1ccco1.O/N=C(C(=N/O)/c1ccco1)\c1ccco1.[Cu]
InChIInChI=1S/2C10H8N2O4.Cu/c2*13-11-9(7-3-1-5-15-7)10(12-14)8-4-2-6-16-8;/h2*1-6,13-14H;/b2*11-9+,12-10+;
InChIKeyVGBHIULFTBXBGQ-ZLNBHMKHSA-N
MW503.91 g/mol
LogP3.86
Rot. Bonds6

About bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper

bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper (PubChem CID 135436493) has the molecular formula C20H16CuN4O8 and a molecular weight of 503.91 g/mol. Its IUPAC name is bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper.

Molecular Properties

Compound Namebis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper
PubChem CID135436493
Molecular FormulaC20H16CuN4O8
Molecular Weight503.91 g/mol
Exact Mass503.03
IUPAC Namebis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper
SMILESO/N=C(C(=N/O)/c1ccco1)\c1ccco1.O/N=C(C(=N/O)/c1ccco1)\c1ccco1.[Cu]
InChIInChI=1S/2C10H8N2O4.Cu/c2*13-11-9(7-3-1-5-15-7)10(12-14)8-4-2-6-16-8;/h2*1-6,13-14H;/b2*11-9+,12-10+;
InChIKeyVGBHIULFTBXBGQ-ZLNBHMKHSA-N
XLogP3.86
TPSA182.92 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.91
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(furan-2-yl)-2-hydroxyiminoacetic acid
CID 14556124
(2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanone
CID 6401304
methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate
CID 87793315
methyl (2E)-N-hydroxyfuran-2-carboximidothioate
CID 119098066
(NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine
CID 11298289
(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid
CID 55250666
2-[(Z)-C-(furan-2-yl)-N-hydroxycarbonimidoyl]phenol
CID 135463584
(1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol
CID 98567052
(NZ)-N-[(2R)-1-(furan-2-yl)-2-(hydroxyamino)propylidene]hydroxylamine
CID 27444187
2-[(E)-1-chloroprop-1-enyl]furan
CID 170605164
[furan-2-yl(hydroxy)methylidene]chromium
CID 11728114
N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine
CID 151211665

Frequently Asked Questions

What is the IUPAC name of bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper?
The IUPAC name of bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper (CID 135436493) is bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper.
What is the SMILES notation for bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper?
The canonical SMILES for bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper is O/N=C(C(=N/O)/c1ccco1)\c1ccco1.O/N=C(C(=N/O)/c1ccco1)\c1ccco1.[Cu].
What is the InChIKey of bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper?
The InChIKey is VGBHIULFTBXBGQ-ZLNBHMKHSA-N. The full InChI is InChI=1S/2C10H8N2O4.Cu/c2*13-11-9(7-3-1-5-15-7)10(12-14)8-4-2-6-16-8;/h2*1-6,13-14H;/b2*11-9+,12-10+;.
What are the key properties of bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper?
bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper has a molecular weight of 503.91 g/mol, XLogP of 3.86, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper is sourced from PubChem (CID 135436493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).