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

C16H15N3O3 — CID 829560

IUPACN-(2-hydroxy-1-propylindol-3-yl)iminofuran-2-carboxamide
SMILESCCCn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C16H15N3O3/c1-2-9-19-12-7-4-3-6-11(12)14(16(19)21)17-18-15(20)13-8-5-10-22-13/h3-8,10,21H,2,9H2,1H3/b18-17+
InChIKeyQSEXLYLHIJPKMW-ISLYRVAYSA-N
MW297.31 g/mol
LogP4.27
Rot. Bonds4

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

N-(2-hydroxy-1-propylindol-3-yl)iminofuran-2-carboxamide (PubChem CID 829560) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(2-hydroxy-1-propylindol-3-yl)iminofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-propylindol-3-yl)iminofuran-2-carboxamide
PubChem CID829560
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(2-hydroxy-1-propylindol-3-yl)iminofuran-2-carboxamide
SMILESCCCn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C16H15N3O3/c1-2-9-19-12-7-4-3-6-11(12)14(16(19)21)17-18-15(20)13-8-5-10-22-13/h3-8,10,21H,2,9H2,1H3/b18-17+
InChIKeyQSEXLYLHIJPKMW-ISLYRVAYSA-N
XLogP4.27
TPSA80.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.27
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-propylindol-3-yl)iminofuran-2-carboxamide?
The IUPAC name of N-(2-hydroxy-1-propylindol-3-yl)iminofuran-2-carboxamide (CID 829560) is N-(2-hydroxy-1-propylindol-3-yl)iminofuran-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-propylindol-3-yl)iminofuran-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-propylindol-3-yl)iminofuran-2-carboxamide is CCCn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-propylindol-3-yl)iminofuran-2-carboxamide?
The InChIKey is QSEXLYLHIJPKMW-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-2-9-19-12-7-4-3-6-11(12)14(16(19)21)17-18-15(20)13-8-5-10-22-13/h3-8,10,21H,2,9H2,1H3/b18-17+.
What are the key properties of N-(2-hydroxy-1-propylindol-3-yl)iminofuran-2-carboxamide?
N-(2-hydroxy-1-propylindol-3-yl)iminofuran-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-propylindol-3-yl)iminofuran-2-carboxamide is sourced from PubChem (CID 829560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).