4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile

C15H23N3OSi — CID 164719083

IUPAC4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile
SMILES[H]/N=C/C(=C)Cc1cc(C#N)n(COCC[Si](C)(C)C)c1
InChIInChI=1S/C15H23N3OSi/c1-13(9-16)7-14-8-15(10-17)18(11-14)12-19-5-6-20(2,3)4/h8-9,11,16H,1,5-7,12H2,2-4H3/b16-9+
InChIKeyFTNOQNGLQOPTBP-CXUHLZMHSA-N
MW289.45 g/mol
LogP3.42
Rot. Bonds8

About 4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile

4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile (PubChem CID 164719083) has the molecular formula C15H23N3OSi and a molecular weight of 289.45 g/mol. Its IUPAC name is 4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile
PubChem CID164719083
Molecular FormulaC15H23N3OSi
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile
SMILES[H]/N=C/C(=C)Cc1cc(C#N)n(COCC[Si](C)(C)C)c1
InChIInChI=1S/C15H23N3OSi/c1-13(9-16)7-14-8-15(10-17)18(11-14)12-19-5-6-20(2,3)4/h8-9,11,16H,1,5-7,12H2,2-4H3/b16-9+
InChIKeyFTNOQNGLQOPTBP-CXUHLZMHSA-N
XLogP3.42
TPSA61.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile?
The IUPAC name of 4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile (CID 164719083) is 4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile?
The canonical SMILES for 4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile is [H]/N=C/C(=C)Cc1cc(C#N)n(COCC[Si](C)(C)C)c1.
What is the InChIKey of 4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile?
The InChIKey is FTNOQNGLQOPTBP-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H23N3OSi/c1-13(9-16)7-14-8-15(10-17)18(11-14)12-19-5-6-20(2,3)4/h8-9,11,16H,1,5-7,12H2,2-4H3/b16-9+.
What are the key properties of 4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile?
4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile has a molecular weight of 289.45 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methanimidoylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 164719083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).