1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone

C15H19NOSi — CID 15486447

IUPAC1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(C)c1[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H19NOSi/c1-12(17)14-10-11-16(2)15(14)18(3,4)13-8-6-5-7-9-13/h5-11H,1-4H3
InChIKeyKVNXADWCRTYMJK-UHFFFAOYSA-N
MW257.41 g/mol
LogP2.05
Rot. Bonds3

About 1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone

1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone (PubChem CID 15486447) has the molecular formula C15H19NOSi and a molecular weight of 257.41 g/mol. Its IUPAC name is 1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone
PubChem CID15486447
Molecular FormulaC15H19NOSi
Molecular Weight257.41 g/mol
Exact Mass257.12
IUPAC Name1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(C)c1[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H19NOSi/c1-12(17)14-10-11-16(2)15(14)18(3,4)13-8-6-5-7-9-13/h5-11H,1-4H3
InChIKeyKVNXADWCRTYMJK-UHFFFAOYSA-N
XLogP2.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Acetyl-1-(phenylsulfonyl)pyrrole
CID 555792
1-(4-Pyridinyl)-1-propanone
CID 74343
1-(Pyridin-3-yl)butan-1-one
CID 459502
3-Acetyl-1-methylpyrrole
CID 523057
(2e)-3-Phenyl-1-(pyridin-3-yl)prop-2-en-1-one
CID 5355549
(2E)-3-(Dimethylamino)-1-(4-Pyridinyl)-2-Propen-1-One
CID 5396716
3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one
CID 5369165
(E)-3-(dimethylamino)-1-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-2-propen-1-one
CID 1481412
(E)-3-(dimethylamino)-1-[4-(1H-pyrrol-1-yl)phenyl]-2-propen-1-one
CID 5928614
3-[Benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one
CID 46231733
3-[Benzyl(propan-2-yl)amino]-1-pyridin-3-ylpropan-1-one
CID 46231734
3-[Benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one
CID 46231811

Frequently Asked Questions

What is the IUPAC name of 1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone?
The IUPAC name of 1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone (CID 15486447) is 1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone?
The canonical SMILES for 1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone is CC(=O)c1ccn(C)c1[Si](C)(C)c1ccccc1.
What is the InChIKey of 1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone?
The InChIKey is KVNXADWCRTYMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOSi/c1-12(17)14-10-11-16(2)15(14)18(3,4)13-8-6-5-7-9-13/h5-11H,1-4H3.
What are the key properties of 1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone?
1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone has a molecular weight of 257.41 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[dimethyl(phenyl)silyl]-1-methylpyrrol-3-yl]ethanone is sourced from PubChem (CID 15486447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).