2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile

C18H11N3O — CID 129307554

IUPAC2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc(-c2cccn2-c2ccccc2)o1
InChIInChI=1S/C18H11N3O/c19-12-14(13-20)11-16-8-9-18(22-16)17-7-4-10-21(17)15-5-2-1-3-6-15/h1-11H
InChIKeySCRHFRIJSMIOCW-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.17
Rot. Bonds3

About 2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile

2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile (PubChem CID 129307554) has the molecular formula C18H11N3O and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile
PubChem CID129307554
Molecular FormulaC18H11N3O
Molecular Weight285.31 g/mol
Exact Mass285.09
IUPAC Name2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc(-c2cccn2-c2ccccc2)o1
InChIInChI=1S/C18H11N3O/c19-12-14(13-20)11-16-8-9-18(22-16)17-7-4-10-21(17)15-5-2-1-3-6-15/h1-11H
InChIKeySCRHFRIJSMIOCW-UHFFFAOYSA-N
XLogP4.17
TPSA65.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(1-methylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile
CID 129307548
2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-phenylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile
CID 137390612
2-[[5-(4-phenylpiperazin-1-yl)furan-2-yl]methylidene]propanedinitrile
CID 71372843
2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylidene]propanedinitrile
CID 736983
2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile
CID 59920416
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]propanedinitrile
CID 800300
2-[[5-[(E)-2-phenyl-2-(4-phenylphenyl)ethenyl]furan-2-yl]methylidene]propanedinitrile
CID 22899761
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]propanedinitrile;hydrate
CID 51057512
2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 812283
(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 787027
(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 726345
2-cyano-3-(1-phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid
CID 112758093

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile?
The IUPAC name of 2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile (CID 129307554) is 2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile is N#CC(C#N)=Cc1ccc(-c2cccn2-c2ccccc2)o1.
What is the InChIKey of 2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile?
The InChIKey is SCRHFRIJSMIOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O/c19-12-14(13-20)11-16-8-9-18(22-16)17-7-4-10-21(17)15-5-2-1-3-6-15/h1-11H.
What are the key properties of 2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile?
2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile has a molecular weight of 285.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile is sourced from PubChem (CID 129307554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).