tert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate

C15H24N2O2Si — CID 14343447

IUPACtert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C(/N[Si](C)(C)C)c1ccncc1
InChIInChI=1S/C15H24N2O2Si/c1-15(2,3)19-14(18)11-13(17-20(4,5)6)12-7-9-16-10-8-12/h7-11,17H,1-6H3/b13-11+
InChIKeyYANFYGGICHMJAE-ACCUITESSA-N
MW292.45 g/mol
LogP3.19
Rot. Bonds4

About tert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate

tert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate (PubChem CID 14343447) has the molecular formula C15H24N2O2Si and a molecular weight of 292.45 g/mol. Its IUPAC name is tert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate
PubChem CID14343447
Molecular FormulaC15H24N2O2Si
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Nametert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C(/N[Si](C)(C)C)c1ccncc1
InChIInChI=1S/C15H24N2O2Si/c1-15(2,3)19-14(18)11-13(17-20(4,5)6)12-7-9-16-10-8-12/h7-11,17H,1-6H3/b13-11+
InChIKeyYANFYGGICHMJAE-ACCUITESSA-N
XLogP3.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate 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 tert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate?
The IUPAC name of tert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate (CID 14343447) is tert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate is CC(C)(C)OC(=O)/C=C(/N[Si](C)(C)C)c1ccncc1.
What is the InChIKey of tert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate?
The InChIKey is YANFYGGICHMJAE-ACCUITESSA-N. The full InChI is InChI=1S/C15H24N2O2Si/c1-15(2,3)19-14(18)11-13(17-20(4,5)6)12-7-9-16-10-8-12/h7-11,17H,1-6H3/b13-11+.
What are the key properties of tert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate?
tert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate has a molecular weight of 292.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate is sourced from PubChem (CID 14343447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).