(1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol

C10H9NO4 — CID 98567052

IUPAC(1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol
SMILESO/N=C(/c1ccco1)[C@H](O)c1ccco1
InChIInChI=1S/C10H9NO4/c12-10(8-4-2-6-15-8)9(11-13)7-3-1-5-14-7/h1-6,10,12-13H/b11-9-/t10-/m1/s1
InChIKeyIBNMNXJQIJQANW-QLWWJYNRSA-N
MW207.19 g/mol
LogP1.78
Rot. Bonds3

About (1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol

(1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol (PubChem CID 98567052) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is (1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol.

Molecular Properties

Compound Name(1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol
PubChem CID98567052
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name(1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol
SMILESO/N=C(/c1ccco1)[C@H](O)c1ccco1
InChIInChI=1S/C10H9NO4/c12-10(8-4-2-6-15-8)9(11-13)7-3-1-5-14-7/h1-6,10,12-13H/b11-9-/t10-/m1/s1
InChIKeyIBNMNXJQIJQANW-QLWWJYNRSA-N
XLogP1.78
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

(NZ)-N-[(2R)-1-(furan-2-yl)-2-(hydroxyamino)propylidene]hydroxylamine
CID 27444187
bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper
CID 135436493
(NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine
CID 11298289
2-(furan-2-yl)-2-hydroxyacetate
CID 4549959
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
2-[(Z)-C-(furan-2-yl)-N-hydroxycarbonimidoyl]phenol
CID 135463584
1,3-bis(furan-2-yl)propane-1,2,3-triol
CID 70525722
methyl (2E)-N-hydroxyfuran-2-carboximidothioate
CID 119098066
(2Z)-2-(furan-2-yl)-2-hydroxyiminoacetic acid
CID 14556124
(2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanone
CID 6401304
1,4-bis(furan-2-yl)but-2-yne-1,4-diol
CID 565624
(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid
CID 55250666

Frequently Asked Questions

What is the IUPAC name of (1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol?
The IUPAC name of (1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol (CID 98567052) is (1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol.
What is the SMILES notation for (1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol?
The canonical SMILES for (1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol is O/N=C(/c1ccco1)[C@H](O)c1ccco1.
What is the InChIKey of (1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol?
The InChIKey is IBNMNXJQIJQANW-QLWWJYNRSA-N. The full InChI is InChI=1S/C10H9NO4/c12-10(8-4-2-6-15-8)9(11-13)7-3-1-5-14-7/h1-6,10,12-13H/b11-9-/t10-/m1/s1.
What are the key properties of (1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol?
(1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol has a molecular weight of 207.19 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol is sourced from PubChem (CID 98567052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).