3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one

C19H18N2OSi — CID 12066535

IUPAC3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one
SMILESC[Si](C)(C)C1=C2C(=Nc3ccccc32)N(c2ccccc2)C1=O
InChIInChI=1S/C19H18N2OSi/c1-23(2,3)17-16-14-11-7-8-12-15(14)20-18(16)21(19(17)22)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyYHQNUYGBCNJBNT-UHFFFAOYSA-N
MW318.45 g/mol
LogP4.41
Rot. Bonds2

About 3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one

3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one (PubChem CID 12066535) has the molecular formula C19H18N2OSi and a molecular weight of 318.45 g/mol. Its IUPAC name is 3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one.

Molecular Properties

Compound Name3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one
PubChem CID12066535
Molecular FormulaC19H18N2OSi
Molecular Weight318.45 g/mol
Exact Mass318.12
IUPAC Name3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one
SMILESC[Si](C)(C)C1=C2C(=Nc3ccccc32)N(c2ccccc2)C1=O
InChIInChI=1S/C19H18N2OSi/c1-23(2,3)17-16-14-11-7-8-12-15(14)20-18(16)21(19(17)22)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyYHQNUYGBCNJBNT-UHFFFAOYSA-N
XLogP4.41
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one?
The IUPAC name of 3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one (CID 12066535) is 3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one.
What is the SMILES notation for 3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one?
The canonical SMILES for 3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one is C[Si](C)(C)C1=C2C(=Nc3ccccc32)N(c2ccccc2)C1=O.
What is the InChIKey of 3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one?
The InChIKey is YHQNUYGBCNJBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OSi/c1-23(2,3)17-16-14-11-7-8-12-15(14)20-18(16)21(19(17)22)13-9-5-4-6-10-13/h4-12H,1-3H3.
What are the key properties of 3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one?
3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one has a molecular weight of 318.45 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-trimethylsilylpyrrolo[2,3-b]indol-2-one is sourced from PubChem (CID 12066535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).