(2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one

C16H31NOSi — CID 15438765

IUPAC(2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one
SMILESCCCC/C(=C/[Si](C)(CC)CC)C(=O)N1CCCC1
InChIInChI=1S/C16H31NOSi/c1-5-8-11-15(14-19(4,6-2)7-3)16(18)17-12-9-10-13-17/h14H,5-13H2,1-4H3/b15-14-
InChIKeyUOFSCEBFPQJMBD-PFONDFGASA-N
MW281.52 g/mol
LogP4.38
Rot. Bonds7

About (2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one

(2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 15438765) has the molecular formula C16H31NOSi and a molecular weight of 281.52 g/mol. Its IUPAC name is (2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name(2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one
PubChem CID15438765
Molecular FormulaC16H31NOSi
Molecular Weight281.52 g/mol
Exact Mass281.22
IUPAC Name(2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one
SMILESCCCC/C(=C/[Si](C)(CC)CC)C(=O)N1CCCC1
InChIInChI=1S/C16H31NOSi/c1-5-8-11-15(14-19(4,6-2)7-3)16(18)17-12-9-10-13-17/h14H,5-13H2,1-4H3/b15-14-
InChIKeyUOFSCEBFPQJMBD-PFONDFGASA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.52
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-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 (2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of (2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one (CID 15438765) is (2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for (2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for (2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one is CCCC/C(=C/[Si](C)(CC)CC)C(=O)N1CCCC1.
What is the InChIKey of (2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is UOFSCEBFPQJMBD-PFONDFGASA-N. The full InChI is InChI=1S/C16H31NOSi/c1-5-8-11-15(14-19(4,6-2)7-3)16(18)17-12-9-10-13-17/h14H,5-13H2,1-4H3/b15-14-.
What are the key properties of (2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one?
(2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 281.52 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[diethyl(methyl)silyl]methylidene]-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 15438765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).