(3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one

C14H29NOSi — CID 135071251

IUPAC(3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one
SMILESCCCC[C@@H]1C(=O)N(CCCC)[C@H]1[Si](C)(C)C
InChIInChI=1S/C14H29NOSi/c1-6-8-10-12-13(16)15(11-9-7-2)14(12)17(3,4)5/h12,14H,6-11H2,1-5H3/t12-,14+/m1/s1
InChIKeyGVSIQCXRPGQSCQ-OCCSQVGLSA-N
MW255.48 g/mol
LogP3.68
Rot. Bonds7

About (3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one

(3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one (PubChem CID 135071251) has the molecular formula C14H29NOSi and a molecular weight of 255.48 g/mol. Its IUPAC name is (3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one
PubChem CID135071251
Molecular FormulaC14H29NOSi
Molecular Weight255.48 g/mol
Exact Mass255.20
IUPAC Name(3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one
SMILESCCCC[C@@H]1C(=O)N(CCCC)[C@H]1[Si](C)(C)C
InChIInChI=1S/C14H29NOSi/c1-6-8-10-12-13(16)15(11-9-7-2)14(12)17(3,4)5/h12,14H,6-11H2,1-5H3/t12-,14+/m1/s1
InChIKeyGVSIQCXRPGQSCQ-OCCSQVGLSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one?
The IUPAC name of (3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one (CID 135071251) is (3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one?
The canonical SMILES for (3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one is CCCC[C@@H]1C(=O)N(CCCC)[C@H]1[Si](C)(C)C.
What is the InChIKey of (3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one?
The InChIKey is GVSIQCXRPGQSCQ-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H29NOSi/c1-6-8-10-12-13(16)15(11-9-7-2)14(12)17(3,4)5/h12,14H,6-11H2,1-5H3/t12-,14+/m1/s1.
What are the key properties of (3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one?
(3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one has a molecular weight of 255.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1,3-dibutyl-4-trimethylsilylazetidin-2-one is sourced from PubChem (CID 135071251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).