2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile

C15H13N3OS — CID 69475220

IUPAC2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2sc(/C=C/C(=O)N3CCCC3)cc2c1
InChIInChI=1S/C15H13N3OS/c16-9-11-7-12-8-13(20-15(12)17-10-11)3-4-14(19)18-5-1-2-6-18/h3-4,7-8,10H,1-2,5-6H2/b4-3+
InChIKeyJUYFLGVDIWLUDV-ONEGZZNKSA-N
MW283.36 g/mol
LogP2.80
Rot. Bonds2

About 2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile

2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 69475220) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile
PubChem CID69475220
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2sc(/C=C/C(=O)N3CCCC3)cc2c1
InChIInChI=1S/C15H13N3OS/c16-9-11-7-12-8-13(20-15(12)17-10-11)3-4-14(19)18-5-1-2-6-18/h3-4,7-8,10H,1-2,5-6H2/b4-3+
InChIKeyJUYFLGVDIWLUDV-ONEGZZNKSA-N
XLogP2.80
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile (CID 69475220) is 2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile is N#Cc1cnc2sc(/C=C/C(=O)N3CCCC3)cc2c1.
What is the InChIKey of 2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is JUYFLGVDIWLUDV-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H13N3OS/c16-9-11-7-12-8-13(20-15(12)17-10-11)3-4-14(19)18-5-1-2-6-18/h3-4,7-8,10H,1-2,5-6H2/b4-3+.
What are the key properties of 2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile?
2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 283.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 69475220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).