(2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one

C14H21NOSi — CID 102349825

IUPAC(2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one
SMILESC=C[C@H]1C[C@H]2C=C([Si](C)(C)C)C(=C)CN2C1=O
InChIInChI=1S/C14H21NOSi/c1-6-11-7-12-8-13(17(3,4)5)10(2)9-15(12)14(11)16/h6,8,11-12H,1-2,7,9H2,3-5H3/t11-,12-/m0/s1
InChIKeyJEGAJHDBWHOSRQ-RYUDHWBXSA-N
MW247.41 g/mol
LogP2.76
Rot. Bonds2

About (2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one

(2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one (PubChem CID 102349825) has the molecular formula C14H21NOSi and a molecular weight of 247.41 g/mol. Its IUPAC name is (2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one.

Molecular Properties

Compound Name(2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one
PubChem CID102349825
Molecular FormulaC14H21NOSi
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name(2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one
SMILESC=C[C@H]1C[C@H]2C=C([Si](C)(C)C)C(=C)CN2C1=O
InChIInChI=1S/C14H21NOSi/c1-6-11-7-12-8-13(17(3,4)5)10(2)9-15(12)14(11)16/h6,8,11-12H,1-2,7,9H2,3-5H3/t11-,12-/m0/s1
InChIKeyJEGAJHDBWHOSRQ-RYUDHWBXSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 52.76
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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Related Compounds

(1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one
CID 15933773
2-(2-Methylidenebut-3-enyl)-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 102353971
2-Ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
CID 135070333
2-Ethenyl-6-prop-1-en-2-yl-1,2,5,8-tetrahydropyrrolizin-3-one
CID 135070599
2-Ethenyl-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
CID 135070771
2-(3-Methyl-2-methylidenebut-3-enyl)-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 135080773
(8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
CID 5325735
7-Methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
CID 12035179
2-Prop-2-enyl-5-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 67270012
2-Prop-2-enyl-4-trimethylsilyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 67270040
2-Pentyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 67611889
1-methyl-3a,7a-dihydro-3H-indol-2-one
CID 68190017

Frequently Asked Questions

What is the IUPAC name of (2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one?
The IUPAC name of (2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one (CID 102349825) is (2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one.
What is the SMILES notation for (2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one?
The canonical SMILES for (2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one is C=C[C@H]1C[C@H]2C=C([Si](C)(C)C)C(=C)CN2C1=O.
What is the InChIKey of (2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one?
The InChIKey is JEGAJHDBWHOSRQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H21NOSi/c1-6-11-7-12-8-13(17(3,4)5)10(2)9-15(12)14(11)16/h6,8,11-12H,1-2,7,9H2,3-5H3/t11-,12-/m0/s1.
What are the key properties of (2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one?
(2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one has a molecular weight of 247.41 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8aS)-2-ethenyl-6-methylidene-7-trimethylsilyl-1,2,5,8a-tetrahydroindolizin-3-one is sourced from PubChem (CID 102349825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).