2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile

C16H8N2OS — CID 4780187

IUPAC2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1C=C(c2cccs2)Oc2ccccc21
InChIInChI=1S/C16H8N2OS/c17-9-11(10-18)13-8-15(16-6-3-7-20-16)19-14-5-2-1-4-12(13)14/h1-8H
InChIKeyFNBDYXTVQHVJNV-UHFFFAOYSA-N
MW276.32 g/mol
LogP3.98
Rot. Bonds1

About 2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile

2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile (PubChem CID 4780187) has the molecular formula C16H8N2OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile
PubChem CID4780187
Molecular FormulaC16H8N2OS
Molecular Weight276.32 g/mol
Exact Mass276.04
IUPAC Name2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1C=C(c2cccs2)Oc2ccccc21
InChIInChI=1S/C16H8N2OS/c17-9-11(10-18)13-8-15(16-6-3-7-20-16)19-14-5-2-1-4-12(13)14/h1-8H
InChIKeyFNBDYXTVQHVJNV-UHFFFAOYSA-N
XLogP3.98
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile?
The IUPAC name of 2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile (CID 4780187) is 2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile.
What is the SMILES notation for 2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile?
The canonical SMILES for 2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile is N#CC(C#N)=C1C=C(c2cccs2)Oc2ccccc21.
What is the InChIKey of 2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile?
The InChIKey is FNBDYXTVQHVJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N2OS/c17-9-11(10-18)13-8-15(16-6-3-7-20-16)19-14-5-2-1-4-12(13)14/h1-8H.
What are the key properties of 2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile?
2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile has a molecular weight of 276.32 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylchromen-4-ylidene)propanedinitrile is sourced from PubChem (CID 4780187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).