1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone

C10H17NOSi — CID 134844910

IUPAC1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone
SMILESCC(=O)c1ccn(C)c1[Si](C)(C)C
InChIInChI=1S/C10H17NOSi/c1-8(12)9-6-7-11(2)10(9)13(3,4)5/h6-7H,1-5H3
InChIKeyWGRSFEKFQLDQSD-UHFFFAOYSA-N
MW195.34 g/mol
LogP1.77
Rot. Bonds2

About 1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone

1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone (PubChem CID 134844910) has the molecular formula C10H17NOSi and a molecular weight of 195.34 g/mol. Its IUPAC name is 1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone
PubChem CID134844910
Molecular FormulaC10H17NOSi
Molecular Weight195.34 g/mol
Exact Mass195.11
IUPAC Name1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone
SMILESCC(=O)c1ccn(C)c1[Si](C)(C)C
InChIInChI=1S/C10H17NOSi/c1-8(12)9-6-7-11(2)10(9)13(3,4)5/h6-7H,1-5H3
InChIKeyWGRSFEKFQLDQSD-UHFFFAOYSA-N
XLogP1.77
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-methyl-2-trimethylsilylpyrrol-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-Acetylpyrrole
CID 2737793
3-Acetyl-1-methylpyrrole
CID 523057
1-(1,2-Dimethyl-1H-pyrrol-3-yl)ethanone
CID 13806152
2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one
CID 14968208
1-(1,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one
CID 57737807
3-Acetyl-2-difluoromethyl-N-methylpyrrole
CID 75530047
1-(1-Isobutyl-1H-pyrrol-3-yl)ethanone
CID 15112380
1-(1-(tert-butyl)-1H-pyrrol-3-yl)ethanone
CID 15112382
1-(1-benzyl-1H-pyrrol-3-yl)ethanone
CID 15717746
1-(1-tert-Butyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethan-1-one
CID 45081189
1-(1-Methyl-2-(trifluoromethyl)-1H-pyrrol-3-yl)ethan-1-one
CID 75530282
1-(1-(sec-Butyl)-1H-pyrrol-3-yl)ethanone
CID 15112381

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone?
The IUPAC name of 1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone (CID 134844910) is 1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone?
The canonical SMILES for 1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone is CC(=O)c1ccn(C)c1[Si](C)(C)C.
What is the InChIKey of 1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone?
The InChIKey is WGRSFEKFQLDQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOSi/c1-8(12)9-6-7-11(2)10(9)13(3,4)5/h6-7H,1-5H3.
What are the key properties of 1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone?
1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone has a molecular weight of 195.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-trimethylsilylpyrrol-3-yl)ethanone is sourced from PubChem (CID 134844910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).