N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide

C12H10N2O3 — CID 6885887

IUPACN-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1)c1ccco1
InChIInChI=1S/C12H10N2O3/c15-10-4-1-3-9(7-10)8-13-14-12(16)11-5-2-6-17-11/h1-8,15H,(H,14,16)/b13-8+
InChIKeyFRGIBITUESJKJS-MDWZMJQESA-N
MW230.22 g/mol
LogP1.75
Rot. Bonds3

About N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide

N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 6885887) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID6885887
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC NameN-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1)c1ccco1
InChIInChI=1S/C12H10N2O3/c15-10-4-1-3-9(7-10)8-13-14-12(16)11-5-2-6-17-11/h1-8,15H,(H,14,16)/b13-8+
InChIKeyFRGIBITUESJKJS-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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Related Compounds

N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide
CID 5401936
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 135642156
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 7231244
N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 963063
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide
CID 2336578
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 6880344
1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea
CID 5380313
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1389238
N-[(E)-(2-ethoxy-4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 139230740
N-[(Z)-[3-[(E)-(furan-2-carbonylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]furan-2-carboxamide
CID 135816538

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide (CID 6885887) is N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1cccc(O)c1)c1ccco1.
What is the InChIKey of N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is FRGIBITUESJKJS-MDWZMJQESA-N. The full InChI is InChI=1S/C12H10N2O3/c15-10-4-1-3-9(7-10)8-13-14-12(16)11-5-2-6-17-11/h1-8,15H,(H,14,16)/b13-8+.
What are the key properties of N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide 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)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6885887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).