N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide

C12H17NOSi — CID 166259140

IUPACN-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H17NOSi/c1-4-12(14)13-10-15(2,3)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3,(H,13,14)
InChIKeyJCEHPOKWTQNUKF-UHFFFAOYSA-N
MW219.36 g/mol
LogP1.44
Rot. Bonds4

About N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide

N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide (PubChem CID 166259140) has the molecular formula C12H17NOSi and a molecular weight of 219.36 g/mol. Its IUPAC name is N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide
PubChem CID166259140
Molecular FormulaC12H17NOSi
Molecular Weight219.36 g/mol
Exact Mass219.11
IUPAC NameN-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H17NOSi/c1-4-12(14)13-10-15(2,3)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3,(H,13,14)
InChIKeyJCEHPOKWTQNUKF-UHFFFAOYSA-N
XLogP1.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide?
The IUPAC name of N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide (CID 166259140) is N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide is C=CC(=O)NC[Si](C)(C)c1ccccc1.
What is the InChIKey of N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide?
The InChIKey is JCEHPOKWTQNUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOSi/c1-4-12(14)13-10-15(2,3)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3,(H,13,14).
What are the key properties of N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide?
N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide has a molecular weight of 219.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide is sourced from PubChem (CID 166259140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).