2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile

C20H10N4S — CID 2807488

IUPAC2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1NC2=C(Cc3ccccc32)C(c2cccs2)=C1C#N
InChIInChI=1S/C20H10N4S/c21-9-13(10-22)19-16(11-23)18(17-6-3-7-25-17)15-8-12-4-1-2-5-14(12)20(15)24-19/h1-7,24H,8H2
InChIKeyBJMSZRYOVWTIDU-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.90
Rot. Bonds1

About 2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile

2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile (PubChem CID 2807488) has the molecular formula C20H10N4S and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile
PubChem CID2807488
Molecular FormulaC20H10N4S
Molecular Weight338.40 g/mol
Exact Mass338.06
IUPAC Name2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1NC2=C(Cc3ccccc32)C(c2cccs2)=C1C#N
InChIInChI=1S/C20H10N4S/c21-9-13(10-22)19-16(11-23)18(17-6-3-7-25-17)15-8-12-4-1-2-5-14(12)20(15)24-19/h1-7,24H,8H2
InChIKeyBJMSZRYOVWTIDU-UHFFFAOYSA-N
XLogP3.90
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 1439866
CID 1439866
CID 400097
CID 400097
CID 2816521
CID 2816521
CID 5209457
CID 5209457
CID 702525
CID 702525
CID 682960
CID 682960
CID 85774241
CID 85774241
CID 129759547
CID 129759547
CID 134916759
CID 134916759
CID 134964303
CID 134964303
CID 139147740
CID 139147740
CID 139233060
CID 139233060

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile?
The IUPAC name of 2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile (CID 2807488) is 2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile.
What is the SMILES notation for 2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile?
The canonical SMILES for 2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile is N#CC(C#N)=C1NC2=C(Cc3ccccc32)C(c2cccs2)=C1C#N.
What is the InChIKey of 2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile?
The InChIKey is BJMSZRYOVWTIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N4S/c21-9-13(10-22)19-16(11-23)18(17-6-3-7-25-17)15-8-12-4-1-2-5-14(12)20(15)24-19/h1-7,24H,8H2.
What are the key properties of 2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile?
2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile has a molecular weight of 338.40 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile is sourced from PubChem (CID 2807488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).