(1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione

C14H24BrNO3Si — CID 151439336

IUPAC(1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H](CBr)C(=O)C(=O)N2C1
InChIInChI=1S/C14H24BrNO3Si/c1-14(2,3)20(4,5)19-9-6-11-10(7-15)12(17)13(18)16(11)8-9/h9-11H,6-8H2,1-5H3/t9-,10-,11+/m1/s1
InChIKeyPEEQMJMICLTKDS-MXWKQRLJSA-N
MW362.34 g/mol
LogP2.57
Rot. Bonds3

About (1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione

(1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione (PubChem CID 151439336) has the molecular formula C14H24BrNO3Si and a molecular weight of 362.34 g/mol. Its IUPAC name is (1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione.

Molecular Properties

Compound Name(1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione
PubChem CID151439336
Molecular FormulaC14H24BrNO3Si
Molecular Weight362.34 g/mol
Exact Mass361.07
IUPAC Name(1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H](CBr)C(=O)C(=O)N2C1
InChIInChI=1S/C14H24BrNO3Si/c1-14(2,3)20(4,5)19-9-6-11-10(7-15)12(17)13(18)16(11)8-9/h9-11H,6-8H2,1-5H3/t9-,10-,11+/m1/s1
InChIKeyPEEQMJMICLTKDS-MXWKQRLJSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione 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

(2R,6R,7R,8S,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-iodo-7-methoxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 50936836
(3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione
CID 10337229
tert-butyl (2S,4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 45026939
(2R,6R,8R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-phenylselanyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11015967
(2R,6R,8S,8aR)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-phenylselanyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 101022368
(2S,3R,3aS,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-3-carbaldehyde
CID 11828374
(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one
CID 69123371
(2R,6S,8R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-6-phenyl-8-phenylselanyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10577331
tert-butyl (4R)-4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-2-oxopyrrolidine-1-carboxylate
CID 10576852
(2R,6R,8R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-6-phenylmethoxy-8-phenylselanyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10720985
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethylazetidin-3-yl)pyrrolidine-1-carboxylate
CID 18657890
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one
CID 58858618

Frequently Asked Questions

What is the IUPAC name of (1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione?
The IUPAC name of (1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione (CID 151439336) is (1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione.
What is the SMILES notation for (1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione?
The canonical SMILES for (1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H](CBr)C(=O)C(=O)N2C1.
What is the InChIKey of (1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione?
The InChIKey is PEEQMJMICLTKDS-MXWKQRLJSA-N. The full InChI is InChI=1S/C14H24BrNO3Si/c1-14(2,3)20(4,5)19-9-6-11-10(7-15)12(17)13(18)16(11)8-9/h9-11H,6-8H2,1-5H3/t9-,10-,11+/m1/s1.
What are the key properties of (1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione?
(1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione has a molecular weight of 362.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,8S)-1-(bromomethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-1H-pyrrolizine-2,3-dione is sourced from PubChem (CID 151439336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).