3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one

C20H20N2OSi — CID 11290512

IUPAC3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one
SMILESCc1ccc(N2C(=O)C([Si](C)(C)C)=C3C2=Nc2ccccc23)cc1
InChIInChI=1S/C20H20N2OSi/c1-13-9-11-14(12-10-13)22-19-17(18(20(22)23)24(2,3)4)15-7-5-6-8-16(15)21-19/h5-12H,1-4H3
InChIKeyKOOMJJREGCPJFP-UHFFFAOYSA-N
MW332.48 g/mol
LogP4.72
Rot. Bonds2

About 3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one

3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one (PubChem CID 11290512) has the molecular formula C20H20N2OSi and a molecular weight of 332.48 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one
PubChem CID11290512
Molecular FormulaC20H20N2OSi
Molecular Weight332.48 g/mol
Exact Mass332.13
IUPAC Name3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one
SMILESCc1ccc(N2C(=O)C([Si](C)(C)C)=C3C2=Nc2ccccc23)cc1
InChIInChI=1S/C20H20N2OSi/c1-13-9-11-14(12-10-13)22-19-17(18(20(22)23)24(2,3)4)15-7-5-6-8-16(15)21-19/h5-12H,1-4H3
InChIKeyKOOMJJREGCPJFP-UHFFFAOYSA-N
XLogP4.72
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one?
The IUPAC name of 3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one (CID 11290512) is 3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one.
What is the SMILES notation for 3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one?
The canonical SMILES for 3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one is Cc1ccc(N2C(=O)C([Si](C)(C)C)=C3C2=Nc2ccccc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one?
The InChIKey is KOOMJJREGCPJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OSi/c1-13-9-11-14(12-10-13)22-19-17(18(20(22)23)24(2,3)4)15-7-5-6-8-16(15)21-19/h5-12H,1-4H3.
What are the key properties of 3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one?
3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one has a molecular weight of 332.48 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-trimethylsilylpyrrolo[2,3-b]indol-2-one is sourced from PubChem (CID 11290512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).