N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybenzamide

C12H10N2O3 — CID 6870761

IUPACN-[(E)-furan-2-ylmethylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1ccco1)c1ccc(O)cc1
InChIInChI=1S/C12H10N2O3/c15-10-5-3-9(4-6-10)12(16)14-13-8-11-2-1-7-17-11/h1-8,15H,(H,14,16)/b13-8+
InChIKeyPUORTCYBHNMXSD-MDWZMJQESA-N
MW230.22 g/mol
LogP1.75
Rot. Bonds3

About N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybenzamide

N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybenzamide (PubChem CID 6870761) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-4-hydroxybenzamide
PubChem CID6870761
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1ccco1)c1ccc(O)cc1
InChIInChI=1S/C12H10N2O3/c15-10-5-3-9(4-6-10)12(16)14-13-8-11-2-1-7-17-11/h1-8,15H,(H,14,16)/b13-8+
InChIKeyPUORTCYBHNMXSD-MDWZMJQESA-N
XLogP1.75
TPSA74.83 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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-furan-2-ylmethylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybenzamide (CID 6870761) is N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybenzamide is O=C(N/N=C/c1ccco1)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybenzamide?
The InChIKey is PUORTCYBHNMXSD-MDWZMJQESA-N. The full InChI is InChI=1S/C12H10N2O3/c15-10-5-3-9(4-6-10)12(16)14-13-8-11-2-1-7-17-11/h1-8,15H,(H,14,16)/b13-8+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybenzamide?
N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybenzamide has a molecular weight of 230.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 6870761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).