(E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine

C16H22N2OSi — CID 58770312

IUPAC(E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine
SMILES[C-]#[N+]c1ccc2c(c1)CC/C2=N\O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H22N2OSi/c1-16(2,3)20(5,6)19-18-15-10-7-12-11-13(17-4)8-9-14(12)15/h8-9,11H,7,10H2,1-3,5-6H3/b18-15+
InChIKeyYJGLNKHMVAQROU-OBGWFSINSA-N
MW286.45 g/mol
LogP4.91
Rot. Bonds2

About (E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine

(E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine (PubChem CID 58770312) has the molecular formula C16H22N2OSi and a molecular weight of 286.45 g/mol. Its IUPAC name is (E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine.

Molecular Properties

Compound Name(E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine
PubChem CID58770312
Molecular FormulaC16H22N2OSi
Molecular Weight286.45 g/mol
Exact Mass286.15
IUPAC Name(E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine
SMILES[C-]#[N+]c1ccc2c(c1)CC/C2=N\O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H22N2OSi/c1-16(2,3)20(5,6)19-18-15-10-7-12-11-13(17-4)8-9-14(12)15/h8-9,11H,7,10H2,1-3,5-6H3/b18-15+
InChIKeyYJGLNKHMVAQROU-OBGWFSINSA-N
XLogP4.91
TPSA25.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine?
The IUPAC name of (E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine (CID 58770312) is (E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine.
What is the SMILES notation for (E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine?
The canonical SMILES for (E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine is [C-]#[N+]c1ccc2c(c1)CC/C2=N\O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine?
The InChIKey is YJGLNKHMVAQROU-OBGWFSINSA-N. The full InChI is InChI=1S/C16H22N2OSi/c1-16(2,3)20(5,6)19-18-15-10-7-12-11-13(17-4)8-9-14(12)15/h8-9,11H,7,10H2,1-3,5-6H3/b18-15+.
What are the key properties of (E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine?
(E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine has a molecular weight of 286.45 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[tert-butyl(dimethyl)silyl]oxy-5-isocyano-2,3-dihydroinden-1-imine is sourced from PubChem (CID 58770312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).