(E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal

C19H23NOSi — CID 135058253

IUPAC(E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal
SMILESCN(C/C(=C\C=O)[Si](C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NOSi/c1-20(17-10-6-4-7-11-17)16-19(14-15-21)22(2,3)18-12-8-5-9-13-18/h4-15H,16H2,1-3H3/b19-14+
InChIKeyZRWCAQWTGHIOAS-XMHGGMMESA-N
MW309.49 g/mol
LogP3.40
Rot. Bonds6

About (E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal

(E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal (PubChem CID 135058253) has the molecular formula C19H23NOSi and a molecular weight of 309.49 g/mol. Its IUPAC name is (E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal.

Molecular Properties

Compound Name(E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal
PubChem CID135058253
Molecular FormulaC19H23NOSi
Molecular Weight309.49 g/mol
Exact Mass309.15
IUPAC Name(E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal
SMILESCN(C/C(=C\C=O)[Si](C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NOSi/c1-20(17-10-6-4-7-11-17)16-19(14-15-21)22(2,3)18-12-8-5-9-13-18/h4-15H,16H2,1-3H3/b19-14+
InChIKeyZRWCAQWTGHIOAS-XMHGGMMESA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(N-methylanilino)-3-oxobutanal
CID 134923271
N-methyl-N-(2-trimethylsilylprop-2-enyl)aniline
CID 134905924
N-[4-[(N-methylanilino)methyl]phenyl]formamide
CID 166899743
N-methoxy-N-methyl-2-(N-methylanilino)acetamide
CID 121220639
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate
CID 10665354
N,N-dibenzyl-2-(N-methylanilino)acetamide
CID 102294551
1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one
CID 159401100
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(N-methylanilino)acetamide
CID 8002339
ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate
CID 135057916
1-cyclohexyl-2-(N-methylanilino)ethanone
CID 12697074
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide
CID 18087249
(NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine
CID 119092948

Frequently Asked Questions

What is the IUPAC name of (E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal?
The IUPAC name of (E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal (CID 135058253) is (E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal.
What is the SMILES notation for (E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal?
The canonical SMILES for (E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal is CN(C/C(=C\C=O)[Si](C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal?
The InChIKey is ZRWCAQWTGHIOAS-XMHGGMMESA-N. The full InChI is InChI=1S/C19H23NOSi/c1-20(17-10-6-4-7-11-17)16-19(14-15-21)22(2,3)18-12-8-5-9-13-18/h4-15H,16H2,1-3H3/b19-14+.
What are the key properties of (E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal?
(E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal has a molecular weight of 309.49 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[dimethyl(phenyl)silyl]-4-(N-methylanilino)but-2-enal is sourced from PubChem (CID 135058253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).