(E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one

C12H17NOSi — CID 90137260

IUPAC(E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one
SMILESC[Si](C)(C)/C=C/C(=O)c1ccccc1N
InChIInChI=1S/C12H17NOSi/c1-15(2,3)9-8-12(14)10-6-4-5-7-11(10)13/h4-9H,13H2,1-3H3/b9-8+
InChIKeyIXWFMWNYOQOSHS-CMDGGOBGSA-N
MW219.36 g/mol
LogP2.89
Rot. Bonds3

About (E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one

(E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one (PubChem CID 90137260) has the molecular formula C12H17NOSi and a molecular weight of 219.36 g/mol. Its IUPAC name is (E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one
PubChem CID90137260
Molecular FormulaC12H17NOSi
Molecular Weight219.36 g/mol
Exact Mass219.11
IUPAC Name(E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one
SMILESC[Si](C)(C)/C=C/C(=O)c1ccccc1N
InChIInChI=1S/C12H17NOSi/c1-15(2,3)9-8-12(14)10-6-4-5-7-11(10)13/h4-9H,13H2,1-3H3/b9-8+
InChIKeyIXWFMWNYOQOSHS-CMDGGOBGSA-N
XLogP2.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one
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bis(2-aminobenzoic acid);nickel
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CID 172796646
CID 172796646
2-aminobenzoic acid;azane
CID 21425790
2-aminobenzoic acid;hydrate
CID 70144361
2-aminobenzoic acid;urea
CID 158027537
(E)-1-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 12701089
(E)-1-(2-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 155562698
2-aminobenzoic acid;carbamic acid;hydrochloride
CID 67293810
(E)-1-(2-aminophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 51058949
2-aminobenzoic acid;propanoic acid
CID 67067565
(E)-1-(2-aminophenyl)-3-(3-bromo-5-hydroxyphenyl)prop-2-en-1-one
CID 162443839

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one?
The IUPAC name of (E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one (CID 90137260) is (E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one is C[Si](C)(C)/C=C/C(=O)c1ccccc1N.
What is the InChIKey of (E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one?
The InChIKey is IXWFMWNYOQOSHS-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H17NOSi/c1-15(2,3)9-8-12(14)10-6-4-5-7-11(10)13/h4-9H,13H2,1-3H3/b9-8+.
What are the key properties of (E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one?
(E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one has a molecular weight of 219.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one is sourced from PubChem (CID 90137260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).