3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione

C21H14N2O3 — CID 14855714

IUPAC3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione
SMILESCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)OC2=O)c2ccccc21
InChIInChI=1S/C21H14N2O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-18(20(24)26-21(19)25)14-10-22-16-8-4-2-6-12(14)16/h2-11,22H,1H3
InChIKeyFXSDQXPAMGLPQX-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.65
Rot. Bonds2

About 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione

3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione (PubChem CID 14855714) has the molecular formula C21H14N2O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione
PubChem CID14855714
Molecular FormulaC21H14N2O3
Molecular Weight342.35 g/mol
Exact Mass342.10
IUPAC Name3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione
SMILESCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)OC2=O)c2ccccc21
InChIInChI=1S/C21H14N2O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-18(20(24)26-21(19)25)14-10-22-16-8-4-2-6-12(14)16/h2-11,22H,1H3
InChIKeyFXSDQXPAMGLPQX-UHFFFAOYSA-N
XLogP3.65
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione (CID 14855714) is 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione is Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)OC2=O)c2ccccc21.
What is the InChIKey of 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione?
The InChIKey is FXSDQXPAMGLPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-18(20(24)26-21(19)25)14-10-22-16-8-4-2-6-12(14)16/h2-11,22H,1H3.
What are the key properties of 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione?
3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione has a molecular weight of 342.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione is sourced from PubChem (CID 14855714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).