methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate

C7H7NO4 — CID 87793315

IUPACmethyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate
SMILESCOC(=O)/C(=N\O)c1ccco1
InChIInChI=1S/C7H7NO4/c1-11-7(9)6(8-10)5-3-2-4-12-5/h2-4,10H,1H3/b8-6-
InChIKeyYYPOHERCWVOOIZ-VURMDHGXSA-N
MW169.14 g/mol
LogP0.63
Rot. Bonds2

About methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate

methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate (PubChem CID 87793315) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate
PubChem CID87793315
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Namemethyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate
SMILESCOC(=O)/C(=N\O)c1ccco1
InChIInChI=1S/C7H7NO4/c1-11-7(9)6(8-10)5-3-2-4-12-5/h2-4,10H,1H3/b8-6-
InChIKeyYYPOHERCWVOOIZ-VURMDHGXSA-N
XLogP0.63
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.63
H-Bond Donors ≤ 51
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

(2Z)-2-(furan-2-yl)-2-hydroxyiminoacetic acid
CID 14556124
(2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanone
CID 6401304
bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper
CID 135436493
(2Z)-2-(furan-2-yl)-2-methoxyiminoacetamide
CID 19883955
methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate
CID 102388440
(Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid
CID 118073284
(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid
CID 55250666
(2R)-2-(18F)fluoro-1-(furan-2-yl)-2-methoxyethanone
CID 162417007
1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
methyl N-(furan-2-carbonylamino)carbamate
CID 909545
N-chlorofuran-2-carboxamide
CID 18537247
1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione
CID 165483416

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate?
The IUPAC name of methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate (CID 87793315) is methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate.
What is the SMILES notation for methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate?
The canonical SMILES for methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate is COC(=O)/C(=N\O)c1ccco1.
What is the InChIKey of methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate?
The InChIKey is YYPOHERCWVOOIZ-VURMDHGXSA-N. The full InChI is InChI=1S/C7H7NO4/c1-11-7(9)6(8-10)5-3-2-4-12-5/h2-4,10H,1H3/b8-6-.
What are the key properties of methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate?
methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate has a molecular weight of 169.14 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate is sourced from PubChem (CID 87793315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).