7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one

C12H19NO2Si — CID 10847499

IUPAC7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one
SMILESC=C1CCN2C(=O)C=CC2(O[Si](C)(C)C)C1
InChIInChI=1S/C12H19NO2Si/c1-10-6-8-13-11(14)5-7-12(13,9-10)15-16(2,3)4/h5,7H,1,6,8-9H2,2-4H3
InChIKeyVVLCDGLIQUDFGP-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.28
Rot. Bonds2

About 7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one

7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one (PubChem CID 10847499) has the molecular formula C12H19NO2Si and a molecular weight of 237.37 g/mol. Its IUPAC name is 7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one.

Molecular Properties

Compound Name7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one
PubChem CID10847499
Molecular FormulaC12H19NO2Si
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one
SMILESC=C1CCN2C(=O)C=CC2(O[Si](C)(C)C)C1
InChIInChI=1S/C12H19NO2Si/c1-10-6-8-13-11(14)5-7-12(13,9-10)15-16(2,3)4/h5,7H,1,6,8-9H2,2-4H3
InChIKeyVVLCDGLIQUDFGP-UHFFFAOYSA-N
XLogP2.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one
CID 10797118

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one?
The IUPAC name of 7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one (CID 10847499) is 7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one.
What is the SMILES notation for 7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one?
The canonical SMILES for 7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one is C=C1CCN2C(=O)C=CC2(O[Si](C)(C)C)C1.
What is the InChIKey of 7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one?
The InChIKey is VVLCDGLIQUDFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2Si/c1-10-6-8-13-11(14)5-7-12(13,9-10)15-16(2,3)4/h5,7H,1,6,8-9H2,2-4H3.
What are the key properties of 7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one?
7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one has a molecular weight of 237.37 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one is sourced from PubChem (CID 10847499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).