5-(1H-indol-3-yl)furan-2-carbaldehyde

C13H9NO2 — CID 21084536

IUPAC5-(1H-indol-3-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C13H9NO2/c15-8-9-5-6-13(16-9)11-7-14-12-4-2-1-3-10(11)12/h1-8,14H
InChIKeyJDBNQXXNDXOMAT-UHFFFAOYSA-N
MW211.22 g/mol
LogP3.24
Rot. Bonds2

About 5-(1H-indol-3-yl)furan-2-carbaldehyde

5-(1H-indol-3-yl)furan-2-carbaldehyde (PubChem CID 21084536) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(1H-indol-3-yl)furan-2-carbaldehyde
PubChem CID21084536
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name5-(1H-indol-3-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C13H9NO2/c15-8-9-5-6-13(16-9)11-7-14-12-4-2-1-3-10(11)12/h1-8,14H
InChIKeyJDBNQXXNDXOMAT-UHFFFAOYSA-N
XLogP3.24
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888456
5-dibenzofuran-1-ylfuran-2-carbaldehyde
CID 169332087
5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde
CID 169331923
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
5-(3-methylsulfanyl-1H-indol-5-yl)furan-2-carbaldehyde
CID 169335127
methane;3-phenyl-1H-indole
CID 167711687
5-(2-cyclobutylphenyl)furan-2-carbaldehyde
CID 106886627
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867279
5-[2-(3,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169333066
2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 135876288

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(1H-indol-3-yl)furan-2-carbaldehyde (CID 21084536) is 5-(1H-indol-3-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(1H-indol-3-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(1H-indol-3-yl)furan-2-carbaldehyde is O=Cc1ccc(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of 5-(1H-indol-3-yl)furan-2-carbaldehyde?
The InChIKey is JDBNQXXNDXOMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-8-9-5-6-13(16-9)11-7-14-12-4-2-1-3-10(11)12/h1-8,14H.
What are the key properties of 5-(1H-indol-3-yl)furan-2-carbaldehyde?
5-(1H-indol-3-yl)furan-2-carbaldehyde has a molecular weight of 211.22 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)furan-2-carbaldehyde is sourced from PubChem (CID 21084536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).