2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile

C23H10N2O3S — CID 170175034

IUPAC2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1/C(=C/c2cc3sc(-c4ccco4)cc3o2)C(=O)c2ccccc21
InChIInChI=1S/C23H10N2O3S/c24-11-13(12-25)22-15-4-1-2-5-16(15)23(26)17(22)8-14-9-20-19(28-14)10-21(29-20)18-6-3-7-27-18/h1-10H/b17-8-
InChIKeyUCDAXAMULVNACY-IUXPMGMMSA-N
MW394.41 g/mol
LogP5.83
Rot. Bonds2

About 2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile

2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile (PubChem CID 170175034) has the molecular formula C23H10N2O3S and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
PubChem CID170175034
Molecular FormulaC23H10N2O3S
Molecular Weight394.41 g/mol
Exact Mass394.04
IUPAC Name2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1/C(=C/c2cc3sc(-c4ccco4)cc3o2)C(=O)c2ccccc21
InChIInChI=1S/C23H10N2O3S/c24-11-13(12-25)22-15-4-1-2-5-16(15)23(26)17(22)8-14-9-20-19(28-14)10-21(29-20)18-6-3-7-27-18/h1-10H/b17-8-
InChIKeyUCDAXAMULVNACY-IUXPMGMMSA-N
XLogP5.83
TPSA90.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.41
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2Z)-2-[[2-(4-chlorophenyl)thieno[3,2-b]furan-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 170174618
2-[(2Z)-3-oxo-2-[[2-(2,4,6-trimethylphenyl)furo[2,3-d][1,3]oxazol-5-yl]methylidene]inden-1-ylidene]propanedinitrile
CID 170175196
2-(2-ethylidene-3-oxoinden-1-ylidene)propanedinitrile
CID 91121184
2-[(2E)-2-[[5-(methylamino)thiophen-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 142499722
2-[(2E)-2-(iodomethylidene)-3-oxoinden-1-ylidene]propanedinitrile
CID 135210399
2-[(2Z)-2-[(1-methyl-2-thiophen-2-ylthieno[2,3-d]imidazol-5-yl)methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 170174420
2-[(2Z)-2-[[4-methyl-5-(4-phenylphenyl)thieno[3,2-b]pyrrol-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 170174852
2-[(2Z)-3-oxo-2-[(4,4,9-trimethylthieno[2,3-b]quinolin-2-yl)methylidene]inden-1-ylidene]propanedinitrile
CID 170018759
2-[(2Z)-3-oxo-2-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-2-yl)methylidene]inden-1-ylidene]propanedinitrile
CID 170175057
2-[[5-(4-methylphenyl)thieno[3,2-b]furan-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 170175022
2-[(2Z)-2-[[16-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]spiro[5,17-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene-11,1'-cyclohexane]-6-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 164759848
2-[(2Z)-2-[[2-[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]-1-methylfuro[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 170175359

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile?
The IUPAC name of 2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile (CID 170175034) is 2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile?
The canonical SMILES for 2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile is N#CC(C#N)=C1/C(=C/c2cc3sc(-c4ccco4)cc3o2)C(=O)c2ccccc21.
What is the InChIKey of 2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile?
The InChIKey is UCDAXAMULVNACY-IUXPMGMMSA-N. The full InChI is InChI=1S/C23H10N2O3S/c24-11-13(12-25)22-15-4-1-2-5-16(15)23(26)17(22)8-14-9-20-19(28-14)10-21(29-20)18-6-3-7-27-18/h1-10H/b17-8-.
What are the key properties of 2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile?
2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile has a molecular weight of 394.41 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[[5-(furan-2-yl)thieno[3,2-b]furan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile is sourced from PubChem (CID 170175034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).