CID 161341414

C4H3NO2Si — CID 161341414

IUPAC—
SMILESC=CC(=O)OC#N.[Si]
InChIInChI=1S/C4H3NO2.Si/c1-2-4(6)7-3-5;/h2H,1H2;
InChIKeyVMSFYQLVKUXEOG-UHFFFAOYSA-N
MW125.16 g/mol
LogP-0.18
Rot. Bonds1

About CID 161341414

CID 161341414 (PubChem CID 161341414) has the molecular formula C4H3NO2Si and a molecular weight of 125.16 g/mol.

Molecular Properties

Compound NameCID 161341414
PubChem CID161341414
Molecular FormulaC4H3NO2Si
Molecular Weight125.16 g/mol
Exact Mass124.99
IUPAC Name—
SMILESC=CC(=O)OC#N.[Si]
InChIInChI=1S/C4H3NO2.Si/c1-2-4(6)7-3-5;/h2H,1H2;
InChIKeyVMSFYQLVKUXEOG-UHFFFAOYSA-N
XLogP-0.18
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 161341414?
The IUPAC name of CID 161341414 (CID 161341414) is not available.
What is the SMILES notation for CID 161341414?
The canonical SMILES for CID 161341414 is C=CC(=O)OC#N.[Si].
What is the InChIKey of CID 161341414?
The InChIKey is VMSFYQLVKUXEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.Si/c1-2-4(6)7-3-5;/h2H,1H2;.
What are the key properties of CID 161341414?
CID 161341414 has a molecular weight of 125.16 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161341414 is sourced from PubChem (CID 161341414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).