(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one

C14H26ClNO2Si — CID 100991416

IUPAC(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one
SMILESC=C(CCl)C[C@@H]1NC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26ClNO2Si/c1-10(9-15)7-11-12(8-13(17)16-11)18-19(5,6)14(2,3)4/h11-12H,1,7-9H2,2-6H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyLZSVXLUPZAJQSF-RYUDHWBXSA-N
MW303.91 g/mol
LogP3.45
Rot. Bonds5

About (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one

(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one (PubChem CID 100991416) has the molecular formula C14H26ClNO2Si and a molecular weight of 303.91 g/mol. Its IUPAC name is (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one
PubChem CID100991416
Molecular FormulaC14H26ClNO2Si
Molecular Weight303.91 g/mol
Exact Mass303.14
IUPAC Name(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one
SMILESC=C(CCl)C[C@@H]1NC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26ClNO2Si/c1-10(9-15)7-11-12(8-13(17)16-11)18-19(5,6)14(2,3)4/h11-12H,1,7-9H2,2-6H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyLZSVXLUPZAJQSF-RYUDHWBXSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.91
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one
CID 11780641
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
(2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 124639963
tert-butyl-dimethyl-[(1S,2S)-2-(1-trimethylsilylethenyl)cyclopentyl]oxysilane
CID 102254534
3-[2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]-2-methylprop-2-enal
CID 139608774
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904797
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohexan-1-one
CID 11165096
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 15633274
methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate
CID 101092609
(1S,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclopentane-1-carbaldehyde
CID 11149544

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one?
The IUPAC name of (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one (CID 100991416) is (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one?
The canonical SMILES for (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one is C=C(CCl)C[C@@H]1NC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one?
The InChIKey is LZSVXLUPZAJQSF-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H26ClNO2Si/c1-10(9-15)7-11-12(8-13(17)16-11)18-19(5,6)14(2,3)4/h11-12H,1,7-9H2,2-6H3,(H,16,17)/t11-,12-/m0/s1.
What are the key properties of (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one?
(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one has a molecular weight of 303.91 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one is sourced from PubChem (CID 100991416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).