1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile

C10H15N3OSi — CID 140887604

IUPAC1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile
SMILESCn1cc(C#N)cc1C=NO[Si](C)(C)C
InChIInChI=1S/C10H15N3OSi/c1-13-8-9(6-11)5-10(13)7-12-14-15(2,3)4/h5,7-8H,1-4H3
InChIKeyWQUKJPVMWQBETF-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.08
Rot. Bonds3

About 1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile

1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile (PubChem CID 140887604) has the molecular formula C10H15N3OSi and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile
PubChem CID140887604
Molecular FormulaC10H15N3OSi
Molecular Weight221.34 g/mol
Exact Mass221.10
IUPAC Name1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile
SMILESCn1cc(C#N)cc1C=NO[Si](C)(C)C
InChIInChI=1S/C10H15N3OSi/c1-13-8-9(6-11)5-10(13)7-12-14-15(2,3)4/h5,7-8H,1-4H3
InChIKeyWQUKJPVMWQBETF-UHFFFAOYSA-N
XLogP2.08
TPSA50.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile 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 1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile?
The IUPAC name of 1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile (CID 140887604) is 1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile.
What is the SMILES notation for 1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile?
The canonical SMILES for 1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile is Cn1cc(C#N)cc1C=NO[Si](C)(C)C.
What is the InChIKey of 1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile?
The InChIKey is WQUKJPVMWQBETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OSi/c1-13-8-9(6-11)5-10(13)7-12-14-15(2,3)4/h5,7-8H,1-4H3.
What are the key properties of 1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile?
1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile has a molecular weight of 221.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trimethylsilyloxyiminomethyl)pyrrole-3-carbonitrile is sourced from PubChem (CID 140887604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).