tert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate

C19H28N2O2Si — CID 10688843

IUPACtert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
SMILESC/C=C(/CN(CC#N)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H28N2O2Si/c1-7-16(24(5,6)17-11-9-8-10-12-17)15-21(14-13-20)18(22)23-19(2,3)4/h7-12H,14-15H2,1-6H3/b16-7-
InChIKeyPNBHOBCIVIJLSI-APSNUPSMSA-N
MW344.53 g/mol
LogP3.85
Rot. Bonds5

About tert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate

tert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (PubChem CID 10688843) has the molecular formula C19H28N2O2Si and a molecular weight of 344.53 g/mol. Its IUPAC name is tert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
PubChem CID10688843
Molecular FormulaC19H28N2O2Si
Molecular Weight344.53 g/mol
Exact Mass344.19
IUPAC Nametert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
SMILESC/C=C(/CN(CC#N)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H28N2O2Si/c1-7-16(24(5,6)17-11-9-8-10-12-17)15-21(14-13-20)18(22)23-19(2,3)4/h7-12H,14-15H2,1-6H3/b16-7-
InChIKeyPNBHOBCIVIJLSI-APSNUPSMSA-N
XLogP3.85
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The IUPAC name of tert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (CID 10688843) is tert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is C/C=C(/CN(CC#N)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The InChIKey is PNBHOBCIVIJLSI-APSNUPSMSA-N. The full InChI is InChI=1S/C19H28N2O2Si/c1-7-16(24(5,6)17-11-9-8-10-12-17)15-21(14-13-20)18(22)23-19(2,3)4/h7-12H,14-15H2,1-6H3/b16-7-.
What are the key properties of tert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
tert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate has a molecular weight of 344.53 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is sourced from PubChem (CID 10688843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).