N-(2-hydroxy-1-methylindol-3-yl)iminofuran-2-carboxamide

C14H11N3O3 — CID 674570

IUPACN-(2-hydroxy-1-methylindol-3-yl)iminofuran-2-carboxamide
SMILESCn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C14H11N3O3/c1-17-10-6-3-2-5-9(10)12(14(17)19)15-16-13(18)11-7-4-8-20-11/h2-8,19H,1H3/b16-15+
InChIKeyFKQLJFBWDKUXCR-FOCLMDBBSA-N
MW269.26 g/mol
LogP3.40
Rot. Bonds2

About N-(2-hydroxy-1-methylindol-3-yl)iminofuran-2-carboxamide

N-(2-hydroxy-1-methylindol-3-yl)iminofuran-2-carboxamide (PubChem CID 674570) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(2-hydroxy-1-methylindol-3-yl)iminofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-methylindol-3-yl)iminofuran-2-carboxamide
PubChem CID674570
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-(2-hydroxy-1-methylindol-3-yl)iminofuran-2-carboxamide
SMILESCn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C14H11N3O3/c1-17-10-6-3-2-5-9(10)12(14(17)19)15-16-13(18)11-7-4-8-20-11/h2-8,19H,1H3/b16-15+
InChIKeyFKQLJFBWDKUXCR-FOCLMDBBSA-N
XLogP3.40
TPSA80.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-1-methylindol-3-yl)iminofuran-2-carboxamide?
The IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)iminofuran-2-carboxamide (CID 674570) is N-(2-hydroxy-1-methylindol-3-yl)iminofuran-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-methylindol-3-yl)iminofuran-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-methylindol-3-yl)iminofuran-2-carboxamide is Cn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-methylindol-3-yl)iminofuran-2-carboxamide?
The InChIKey is FKQLJFBWDKUXCR-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-17-10-6-3-2-5-9(10)12(14(17)19)15-16-13(18)11-7-4-8-20-11/h2-8,19H,1H3/b16-15+.
What are the key properties of N-(2-hydroxy-1-methylindol-3-yl)iminofuran-2-carboxamide?
N-(2-hydroxy-1-methylindol-3-yl)iminofuran-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-methylindol-3-yl)iminofuran-2-carboxamide is sourced from PubChem (CID 674570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).