2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate

C20H26N2O4Si — CID 131736925

IUPAC2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate
SMILESC[Si](C)(C)CCOC(=O)N[C@H]1C[C@@H]2C[C@@H]2[C@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H26N2O4Si/c1-27(2,3)9-8-26-20(25)21-16-11-12-10-15(12)17(16)22-18(23)13-6-4-5-7-14(13)19(22)24/h4-7,12,15-17H,8-11H2,1-3H3,(H,21,25)/t12-,15-,16-,17+/m0/s1
InChIKeyYUGGBBFEPFODEC-OSMBCOQSSA-N
MW386.52 g/mol
LogP3.12
Rot. Bonds5

About 2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate

2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate (PubChem CID 131736925) has the molecular formula C20H26N2O4Si and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate
PubChem CID131736925
Molecular FormulaC20H26N2O4Si
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate
SMILESC[Si](C)(C)CCOC(=O)N[C@H]1C[C@@H]2C[C@@H]2[C@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H26N2O4Si/c1-27(2,3)9-8-26-20(25)21-16-11-12-10-15(12)17(16)22-18(23)13-6-4-5-7-14(13)19(22)24/h4-7,12,15-17H,8-11H2,1-3H3,(H,21,25)/t12-,15-,16-,17+/m0/s1
InChIKeyYUGGBBFEPFODEC-OSMBCOQSSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate (CID 131736925) is 2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate is C[Si](C)(C)CCOC(=O)N[C@H]1C[C@@H]2C[C@@H]2[C@H]1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate?
The InChIKey is YUGGBBFEPFODEC-OSMBCOQSSA-N. The full InChI is InChI=1S/C20H26N2O4Si/c1-27(2,3)9-8-26-20(25)21-16-11-12-10-15(12)17(16)22-18(23)13-6-4-5-7-14(13)19(22)24/h4-7,12,15-17H,8-11H2,1-3H3,(H,21,25)/t12-,15-,16-,17+/m0/s1.
What are the key properties of 2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate?
2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate has a molecular weight of 386.52 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[(1S,2R,3S,5S)-2-(1,3-dioxoisoindol-2-yl)-3-bicyclo[3.1.0]hexanyl]carbamate is sourced from PubChem (CID 131736925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).