(5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one

C17H23NOSi — CID 101105873

IUPAC(5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC[Si](C)(C)/C(=C1\CCC2CCC(=O)N12)c1ccccc1
InChIInChI=1S/C17H23NOSi/c1-20(2,3)17(13-7-5-4-6-8-13)15-11-9-14-10-12-16(19)18(14)15/h4-8,14H,9-12H2,1-3H3/b17-15+
InChIKeyNZRDIUVKCKTGEE-BMRADRMJSA-N
MW285.46 g/mol
LogP4.06
Rot. Bonds2

About (5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one

(5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 101105873) has the molecular formula C17H23NOSi and a molecular weight of 285.46 g/mol. Its IUPAC name is (5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID101105873
Molecular FormulaC17H23NOSi
Molecular Weight285.46 g/mol
Exact Mass285.15
IUPAC Name(5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC[Si](C)(C)/C(=C1\CCC2CCC(=O)N12)c1ccccc1
InChIInChI=1S/C17H23NOSi/c1-20(2,3)17(13-7-5-4-6-8-13)15-11-9-14-10-12-16(19)18(14)15/h4-8,14H,9-12H2,1-3H3/b17-15+
InChIKeyNZRDIUVKCKTGEE-BMRADRMJSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-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 (5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one (CID 101105873) is (5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one is C[Si](C)(C)/C(=C1\CCC2CCC(=O)N12)c1ccccc1.
What is the InChIKey of (5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is NZRDIUVKCKTGEE-BMRADRMJSA-N. The full InChI is InChI=1S/C17H23NOSi/c1-20(2,3)17(13-7-5-4-6-8-13)15-11-9-14-10-12-16(19)18(14)15/h4-8,14H,9-12H2,1-3H3/b17-15+.
What are the key properties of (5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
(5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 285.46 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[phenyl(trimethylsilyl)methylidene]-2,6,7,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 101105873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).