(4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone

C19H23NOSi — CID 173363012

IUPAC(4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone
SMILESCC=C(C)[SiH2]c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H23NOSi/c1-5-14(2)22-18-12-8-16(9-13-18)19(21)15-6-10-17(11-7-15)20(3)4/h5-13H,22H2,1-4H3
InChIKeyMBEFIWJHMDATJA-UHFFFAOYSA-N
MW309.49 g/mol
LogP2.70
Rot. Bonds5

About (4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone

(4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone (PubChem CID 173363012) has the molecular formula C19H23NOSi and a molecular weight of 309.49 g/mol. Its IUPAC name is (4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone
PubChem CID173363012
Molecular FormulaC19H23NOSi
Molecular Weight309.49 g/mol
Exact Mass309.15
IUPAC Name(4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone
SMILESCC=C(C)[SiH2]c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H23NOSi/c1-5-14(2)22-18-12-8-16(9-13-18)19(21)15-6-10-17(11-7-15)20(3)4/h5-13H,22H2,1-4H3
InChIKeyMBEFIWJHMDATJA-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Bis(dimethylamino)benzophenone
CID 7031
4,4'-Bis(diethylamino)benzophenone
CID 66663
4-Dimethylaminochalcone
CID 5377268
4-(Dimethylamino)benzophenone
CID 10737
2-(4-(Dimethylamino)benzylidene)-1-indanone
CID 5388521
Shellfish, unspecified
CID 584435
2,6-Bis(4-(dimethylamino)benzylidene)-1-cyclohexanone
CID 1550696
1-[3-Fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one
CID 775592
4-Dimethylaminoacetophenone
CID 75037
4-(4-Methyl-1-piperazinyl)acetophenone
CID 33551
4-Dimethylamino-4'-fluorochalcone
CID 5709047
4-Morpholinobenzophenone
CID 90600

Frequently Asked Questions

What is the IUPAC name of (4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of (4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone (CID 173363012) is (4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for (4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for (4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone is CC=C(C)[SiH2]c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of (4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone?
The InChIKey is MBEFIWJHMDATJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOSi/c1-5-14(2)22-18-12-8-16(9-13-18)19(21)15-6-10-17(11-7-15)20(3)4/h5-13H,22H2,1-4H3.
What are the key properties of (4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone?
(4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone has a molecular weight of 309.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-but-2-en-2-ylsilylphenyl)-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 173363012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).