2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile

C24H15N5O2 — CID 130183426

IUPAC2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile
SMILESCCn1c(-c2ccc(C=C(C#N)C#N)o2)ccc1-c1ccc(/C=C/C=C(C#N)C#N)o1
InChIInChI=1S/C24H15N5O2/c1-2-29-21(23-10-6-19(30-23)5-3-4-17(13-25)14-26)8-9-22(29)24-11-7-20(31-24)12-18(15-27)16-28/h3-12H,2H2,1H3/b5-3+
InChIKeyTYSXOUOJDDMMCV-HWKANZROSA-N
MW405.42 g/mol
LogP5.45
Rot. Bonds6

About 2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile

2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile (PubChem CID 130183426) has the molecular formula C24H15N5O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is 2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile
PubChem CID130183426
Molecular FormulaC24H15N5O2
Molecular Weight405.42 g/mol
Exact Mass405.12
IUPAC Name2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile
SMILESCCn1c(-c2ccc(C=C(C#N)C#N)o2)ccc1-c1ccc(/C=C/C=C(C#N)C#N)o1
InChIInChI=1S/C24H15N5O2/c1-2-29-21(23-10-6-19(30-23)5-3-4-17(13-25)14-26)8-9-22(29)24-11-7-20(31-24)12-18(15-27)16-28/h3-12H,2H2,1H3/b5-3+
InChIKeyTYSXOUOJDDMMCV-HWKANZROSA-N
XLogP5.45
TPSA126.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile?
The IUPAC name of 2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile (CID 130183426) is 2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile.
What is the SMILES notation for 2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile?
The canonical SMILES for 2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile is CCn1c(-c2ccc(C=C(C#N)C#N)o2)ccc1-c1ccc(/C=C/C=C(C#N)C#N)o1.
What is the InChIKey of 2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile?
The InChIKey is TYSXOUOJDDMMCV-HWKANZROSA-N. The full InChI is InChI=1S/C24H15N5O2/c1-2-29-21(23-10-6-19(30-23)5-3-4-17(13-25)14-26)8-9-22(29)24-11-7-20(31-24)12-18(15-27)16-28/h3-12H,2H2,1H3/b5-3+.
What are the key properties of 2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile?
2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile has a molecular weight of 405.42 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-ethylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile is sourced from PubChem (CID 130183426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).