(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid

C7H7NO4 — CID 55250666

IUPAC(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid
SMILESO=C(O)C/C(=N/O)c1ccco1
InChIInChI=1S/C7H7NO4/c9-7(10)4-5(8-11)6-2-1-3-12-6/h1-3,11H,4H2,(H,9,10)/b8-5-
InChIKeySLDYVPYTWVIPFW-YVMONPNESA-N
MW169.14 g/mol
LogP0.93
Rot. Bonds3

About (3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid

(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid (PubChem CID 55250666) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is (3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid.

Molecular Properties

Compound Name(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid
PubChem CID55250666
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid
SMILESO=C(O)C/C(=N/O)c1ccco1
InChIInChI=1S/C7H7NO4/c9-7(10)4-5(8-11)6-2-1-3-12-6/h1-3,11H,4H2,(H,9,10)/b8-5-
InChIKeySLDYVPYTWVIPFW-YVMONPNESA-N
XLogP0.93
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(furan-2-yl)but-3-enoic acid
CID 117268805
(2Z)-2-(furan-2-yl)-2-hydroxyiminoacetic acid
CID 14556124
8-(furan-2-yl)-N-hydroxy-8-hydroxyiminooctanamide
CID 74015259
N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine
CID 151211665
(2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanone
CID 6401304
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
CID 174701575
furan-2-carboxylic acid;silver
CID 87285311
N-chlorofuran-2-carboxamide
CID 18537247
2-[furan-2-carbonyl(hydroxymethyl)amino]acetic acid
CID 126504893
2-[1-(furan-2-yl)ethylideneamino]acetic acid
CID 10813658
methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate
CID 87793315

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid?
The IUPAC name of (3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid (CID 55250666) is (3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid.
What is the SMILES notation for (3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid?
The canonical SMILES for (3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid is O=C(O)C/C(=N/O)c1ccco1.
What is the InChIKey of (3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid?
The InChIKey is SLDYVPYTWVIPFW-YVMONPNESA-N. The full InChI is InChI=1S/C7H7NO4/c9-7(10)4-5(8-11)6-2-1-3-12-6/h1-3,11H,4H2,(H,9,10)/b8-5-.
What are the key properties of (3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid?
(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid has a molecular weight of 169.14 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid is sourced from PubChem (CID 55250666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).