1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one

C15H27NOSi — CID 21458443

IUPAC1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)CC1C1C=CCCC1
InChIInChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)16-13(11-14(16)17)12-9-7-6-8-10-12/h7,9,12-13H,6,8,10-11H2,1-5H3
InChIKeyHKPRYCFTILAOJA-UHFFFAOYSA-N
MW265.47 g/mol
LogP3.95
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one

1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one (PubChem CID 21458443) has the molecular formula C15H27NOSi and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one
PubChem CID21458443
Molecular FormulaC15H27NOSi
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)CC1C1C=CCCC1
InChIInChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)16-13(11-14(16)17)12-9-7-6-8-10-12/h7,9,12-13H,6,8,10-11H2,1-5H3
InChIKeyHKPRYCFTILAOJA-UHFFFAOYSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 53.95
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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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one (CID 21458443) is 1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one is CC(C)(C)[Si](C)(C)N1C(=O)CC1C1C=CCCC1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one?
The InChIKey is HKPRYCFTILAOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)16-13(11-14(16)17)12-9-7-6-8-10-12/h7,9,12-13H,6,8,10-11H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one?
1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one has a molecular weight of 265.47 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-4-cyclohex-2-en-1-ylazetidin-2-one is sourced from PubChem (CID 21458443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).