N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide

C12H10N2O4 — CID 135822714

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccco1
InChIInChI=1S/C12H10N2O4/c15-9-4-3-8(10(16)6-9)7-13-14-12(17)11-2-1-5-18-11/h1-7,15-16H,(H,14,17)/b13-7+
InChIKeyOZYMOWRUCWVBSL-NTUHNPAUSA-N
MW246.22 g/mol
LogP1.45
Rot. Bonds3

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 135822714) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID135822714
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccco1
InChIInChI=1S/C12H10N2O4/c15-9-4-3-8(10(16)6-9)7-13-14-12(17)11-2-1-5-18-11/h1-7,15-16H,(H,14,17)/b13-7+
InChIKeyOZYMOWRUCWVBSL-NTUHNPAUSA-N
XLogP1.45
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide (CID 135822714) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1ccc(O)cc1O)c1ccco1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is OZYMOWRUCWVBSL-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-9-4-3-8(10(16)6-9)7-13-14-12(17)11-2-1-5-18-11/h1-7,15-16H,(H,14,17)/b13-7+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 246.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 135822714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).