(E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one

C11H23NO2Si — CID 177427782

IUPAC(E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(\C)NCCCO[Si](C)(C)C
InChIInChI=1S/C11H23NO2Si/c1-10(9-11(2)13)12-7-6-8-14-15(3,4)5/h9,12H,6-8H2,1-5H3/b10-9+
InChIKeyWEICGIWXOMPHCX-MDZDMXLPSA-N
MW229.40 g/mol
LogP2.31
Rot. Bonds7

About (E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one

(E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one (PubChem CID 177427782) has the molecular formula C11H23NO2Si and a molecular weight of 229.40 g/mol. Its IUPAC name is (E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one
PubChem CID177427782
Molecular FormulaC11H23NO2Si
Molecular Weight229.40 g/mol
Exact Mass229.15
IUPAC Name(E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(\C)NCCCO[Si](C)(C)C
InChIInChI=1S/C11H23NO2Si/c1-10(9-11(2)13)12-7-6-8-14-15(3,4)5/h9,12H,6-8H2,1-5H3/b10-9+
InChIKeyWEICGIWXOMPHCX-MDZDMXLPSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one?
The IUPAC name of (E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one (CID 177427782) is (E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one.
What is the SMILES notation for (E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one?
The canonical SMILES for (E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one is CC(=O)/C=C(\C)NCCCO[Si](C)(C)C.
What is the InChIKey of (E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one?
The InChIKey is WEICGIWXOMPHCX-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H23NO2Si/c1-10(9-11(2)13)12-7-6-8-14-15(3,4)5/h9,12H,6-8H2,1-5H3/b10-9+.
What are the key properties of (E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one?
(E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one has a molecular weight of 229.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one is sourced from PubChem (CID 177427782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).