(1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one

C12H19NOSi — CID 15933773

IUPAC(1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one
SMILESC[Si](C)(C)/C=C1\CCN2C(=O)CC=CC12
InChIInChI=1S/C12H19NOSi/c1-15(2,3)9-10-7-8-13-11(10)5-4-6-12(13)14/h4-5,9,11H,6-8H2,1-3H3/b10-9+
InChIKeyPLPARPVYOLBRCU-MDZDMXLPSA-N
MW221.38 g/mol
LogP2.35
Rot. Bonds1

About (1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one

(1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one (PubChem CID 15933773) has the molecular formula C12H19NOSi and a molecular weight of 221.38 g/mol. Its IUPAC name is (1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one.

Molecular Properties

Compound Name(1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one
PubChem CID15933773
Molecular FormulaC12H19NOSi
Molecular Weight221.38 g/mol
Exact Mass221.12
IUPAC Name(1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one
SMILESC[Si](C)(C)/C=C1\CCN2C(=O)CC=CC12
InChIInChI=1S/C12H19NOSi/c1-15(2,3)9-10-7-8-13-11(10)5-4-6-12(13)14/h4-5,9,11H,6-8H2,1-3H3/b10-9+
InChIKeyPLPARPVYOLBRCU-MDZDMXLPSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one?
The IUPAC name of (1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one (CID 15933773) is (1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one.
What is the SMILES notation for (1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one?
The canonical SMILES for (1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one is C[Si](C)(C)/C=C1\CCN2C(=O)CC=CC12.
What is the InChIKey of (1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one?
The InChIKey is PLPARPVYOLBRCU-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H19NOSi/c1-15(2,3)9-10-7-8-13-11(10)5-4-6-12(13)14/h4-5,9,11H,6-8H2,1-3H3/b10-9+.
What are the key properties of (1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one?
(1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one has a molecular weight of 221.38 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one is sourced from PubChem (CID 15933773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).