(3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one

C19H21NOSi — CID 177436247

IUPAC(3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3/C2=C/[Si](C)(C)C)cc1
InChIInChI=1S/C19H21NOSi/c1-14-9-11-15(12-10-14)20-18(13-22(2,3)4)16-7-5-6-8-17(16)19(20)21/h5-13H,1-4H3/b18-13-
InChIKeyYDZSIXLRRGPTPY-AQTBWJFISA-N
MW307.47 g/mol
LogP4.87
Rot. Bonds2

About (3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one

(3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one (PubChem CID 177436247) has the molecular formula C19H21NOSi and a molecular weight of 307.47 g/mol. Its IUPAC name is (3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one.

Molecular Properties

Compound Name(3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one
PubChem CID177436247
Molecular FormulaC19H21NOSi
Molecular Weight307.47 g/mol
Exact Mass307.14
IUPAC Name(3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3/C2=C/[Si](C)(C)C)cc1
InChIInChI=1S/C19H21NOSi/c1-14-9-11-15(12-10-14)20-18(13-22(2,3)4)16-7-5-6-8-17(16)19(20)21/h5-13H,1-4H3/b18-13-
InChIKeyYDZSIXLRRGPTPY-AQTBWJFISA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one?
The IUPAC name of (3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one (CID 177436247) is (3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one.
What is the SMILES notation for (3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one?
The canonical SMILES for (3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one is Cc1ccc(N2C(=O)c3ccccc3/C2=C/[Si](C)(C)C)cc1.
What is the InChIKey of (3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one?
The InChIKey is YDZSIXLRRGPTPY-AQTBWJFISA-N. The full InChI is InChI=1S/C19H21NOSi/c1-14-9-11-15(12-10-14)20-18(13-22(2,3)4)16-7-5-6-8-17(16)19(20)21/h5-13H,1-4H3/b18-13-.
What are the key properties of (3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one?
(3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one has a molecular weight of 307.47 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-(4-methylphenyl)-3-(trimethylsilylmethylidene)isoindol-1-one is sourced from PubChem (CID 177436247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).