3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione

C22H15N3O3 — CID 118704640

IUPAC3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione
SMILESC=CCn1cc(C2=C(c3coc4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H15N3O3/c1-2-10-25-11-15(13-6-3-4-8-17(13)25)18-19(21(27)24-20(18)26)16-12-28-22-14(16)7-5-9-23-22/h2-9,11-12H,1,10H2,(H,24,26,27)
InChIKeyOSJVXRZTQQOSNI-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.54
Rot. Bonds4

About 3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione

3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione (PubChem CID 118704640) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione
PubChem CID118704640
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC Name3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione
SMILESC=CCn1cc(C2=C(c3coc4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H15N3O3/c1-2-10-25-11-15(13-6-3-4-8-17(13)25)18-19(21(27)24-20(18)26)16-12-28-22-14(16)7-5-9-23-22/h2-9,11-12H,1,10H2,(H,24,26,27)
InChIKeyOSJVXRZTQQOSNI-UHFFFAOYSA-N
XLogP3.54
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione (CID 118704640) is 3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione is C=CCn1cc(C2=C(c3coc4ncccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is OSJVXRZTQQOSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c1-2-10-25-11-15(13-6-3-4-8-17(13)25)18-19(21(27)24-20(18)26)16-12-28-22-14(16)7-5-9-23-22/h2-9,11-12H,1,10H2,(H,24,26,27).
What are the key properties of 3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione?
3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 369.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-furo[2,3-b]pyridin-3-yl-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 118704640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).