(4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one

C12H22INOSi — CID 102594612

IUPAC(4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one
SMILESC/C(I)=C\[C@@H]1CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22INOSi/c1-9(13)7-10-8-11(15)14(10)16(5,6)12(2,3)4/h7,10H,8H2,1-6H3/b9-7+/t10-/m1/s1
InChIKeyWTJZUDQEOFEDEC-TTZKWOQHSA-N
MW351.30 g/mol
LogP3.93
Rot. Bonds2

About (4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one

(4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one (PubChem CID 102594612) has the molecular formula C12H22INOSi and a molecular weight of 351.30 g/mol. Its IUPAC name is (4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one.

Molecular Properties

Compound Name(4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one
PubChem CID102594612
Molecular FormulaC12H22INOSi
Molecular Weight351.30 g/mol
Exact Mass351.05
IUPAC Name(4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one
SMILESC/C(I)=C\[C@@H]1CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22INOSi/c1-9(13)7-10-8-11(15)14(10)16(5,6)12(2,3)4/h7,10H,8H2,1-6H3/b9-7+/t10-/m1/s1
InChIKeyWTJZUDQEOFEDEC-TTZKWOQHSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one?
The IUPAC name of (4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one (CID 102594612) is (4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one.
What is the SMILES notation for (4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one?
The canonical SMILES for (4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one is C/C(I)=C\[C@@H]1CC(=O)N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one?
The InChIKey is WTJZUDQEOFEDEC-TTZKWOQHSA-N. The full InChI is InChI=1S/C12H22INOSi/c1-9(13)7-10-8-11(15)14(10)16(5,6)12(2,3)4/h7,10H,8H2,1-6H3/b9-7+/t10-/m1/s1.
What are the key properties of (4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one?
(4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one has a molecular weight of 351.30 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one is sourced from PubChem (CID 102594612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).