N-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide

C13H9N3O3 — CID 727719

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccco1
InChIInChI=1S/C13H9N3O3/c17-12(10-6-3-7-19-10)16-15-11-8-4-1-2-5-9(8)14-13(11)18/h1-7,14,18H/b16-15+
InChIKeyOJUZLPMHOJWBKE-FOCLMDBBSA-N
MW255.23 g/mol
LogP3.39
Rot. Bonds2

About N-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide

N-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide (PubChem CID 727719) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide
PubChem CID727719
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccco1
InChIInChI=1S/C13H9N3O3/c17-12(10-6-3-7-19-10)16-15-11-8-4-1-2-5-9(8)14-13(11)18/h1-7,14,18H/b16-15+
InChIKeyOJUZLPMHOJWBKE-FOCLMDBBSA-N
XLogP3.39
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide (CID 727719) is N-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccco1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide?
The InChIKey is OJUZLPMHOJWBKE-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-12(10-6-3-7-19-10)16-15-11-8-4-1-2-5-9(8)14-13(11)18/h1-7,14,18H/b16-15+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide has a molecular weight of 255.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]furan-2-carboxamide is sourced from PubChem (CID 727719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).