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

C13H12N2O2 — CID 175392425

IUPAC5-amino-3-(1H-indol-5-yl)-2H-furan-5-carbaldehyde
SMILESNC1(C=O)C=C(c2ccc3[nH]ccc3c2)CO1
InChIInChI=1S/C13H12N2O2/c14-13(8-16)6-11(7-17-13)9-1-2-12-10(5-9)3-4-15-12/h1-6,8,15H,7,14H2
InChIKeyFICOIRJMFMLMAH-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.44
Rot. Bonds2

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

5-amino-3-(1H-indol-5-yl)-2H-furan-5-carbaldehyde (PubChem CID 175392425) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-amino-3-(1H-indol-5-yl)-2H-furan-5-carbaldehyde.

Molecular Properties

Compound Name5-amino-3-(1H-indol-5-yl)-2H-furan-5-carbaldehyde
PubChem CID175392425
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name5-amino-3-(1H-indol-5-yl)-2H-furan-5-carbaldehyde
SMILESNC1(C=O)C=C(c2ccc3[nH]ccc3c2)CO1
InChIInChI=1S/C13H12N2O2/c14-13(8-16)6-11(7-17-13)9-1-2-12-10(5-9)3-4-15-12/h1-6,8,15H,7,14H2
InChIKeyFICOIRJMFMLMAH-UHFFFAOYSA-N
XLogP1.44
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1H-indol-5-yl)-2H-furan-5-carbaldehyde?
The IUPAC name of 5-amino-3-(1H-indol-5-yl)-2H-furan-5-carbaldehyde (CID 175392425) is 5-amino-3-(1H-indol-5-yl)-2H-furan-5-carbaldehyde.
What is the SMILES notation for 5-amino-3-(1H-indol-5-yl)-2H-furan-5-carbaldehyde?
The canonical SMILES for 5-amino-3-(1H-indol-5-yl)-2H-furan-5-carbaldehyde is NC1(C=O)C=C(c2ccc3[nH]ccc3c2)CO1.
What is the InChIKey of 5-amino-3-(1H-indol-5-yl)-2H-furan-5-carbaldehyde?
The InChIKey is FICOIRJMFMLMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-13(8-16)6-11(7-17-13)9-1-2-12-10(5-9)3-4-15-12/h1-6,8,15H,7,14H2.
What are the key properties of 5-amino-3-(1H-indol-5-yl)-2H-furan-5-carbaldehyde?
5-amino-3-(1H-indol-5-yl)-2H-furan-5-carbaldehyde has a molecular weight of 228.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1H-indol-5-yl)-2H-furan-5-carbaldehyde is sourced from PubChem (CID 175392425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).