4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide

C12H10N2O3 — CID 50885343

IUPAC4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(/C=N/O)o2)cc1
InChIInChI=1S/C12H10N2O3/c13-12(15)9-3-1-8(2-4-9)11-6-5-10(17-11)7-14-16/h1-7,16H,(H2,13,15)/b14-7+
InChIKeyVVIQLABYWGUKFZ-VGOFMYFVSA-N
MW230.22 g/mol
LogP1.85
Rot. Bonds3

About 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide

4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide (PubChem CID 50885343) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide
PubChem CID50885343
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(/C=N/O)o2)cc1
InChIInChI=1S/C12H10N2O3/c13-12(15)9-3-1-8(2-4-9)11-6-5-10(17-11)7-14-16/h1-7,16H,(H2,13,15)/b14-7+
InChIKeyVVIQLABYWGUKFZ-VGOFMYFVSA-N
XLogP1.85
TPSA88.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.85
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

4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzoic acid
CID 6890370
1-[4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]phenyl]ethanone
CID 50884928
ethyl 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzoate
CID 5343083
4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide
CID 50885342
4-[5-[(Z)-(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 6115254
(NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine
CID 19869736
4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 51138316
(NZ)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 5343283
ethyl 4-[5-[(Z)-(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]benzoate
CID 9058207
4-(5-formylfuran-2-yl)benzenecarbothioamide
CID 169331842
ethyl 4-[5-[(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 840770
4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 17389017

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide?
The IUPAC name of 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide (CID 50885343) is 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide.
What is the SMILES notation for 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide?
The canonical SMILES for 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide is NC(=O)c1ccc(-c2ccc(/C=N/O)o2)cc1.
What is the InChIKey of 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide?
The InChIKey is VVIQLABYWGUKFZ-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H10N2O3/c13-12(15)9-3-1-8(2-4-9)11-6-5-10(17-11)7-14-16/h1-7,16H,(H2,13,15)/b14-7+.
What are the key properties of 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide?
4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide has a molecular weight of 230.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide is sourced from PubChem (CID 50885343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).