2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate

C17H24ClNO3Si — CID 156862878

IUPAC2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate
SMILESC[Si](C)(C)CCOC(=O)NC1(CC=O)Cc2cccc(Cl)c2C1
InChIInChI=1S/C17H24ClNO3Si/c1-23(2,3)10-9-22-16(21)19-17(7-8-20)11-13-5-4-6-15(18)14(13)12-17/h4-6,8H,7,9-12H2,1-3H3,(H,19,21)
InChIKeyGHNAZYDPXCCRQW-UHFFFAOYSA-N
MW353.92 g/mol
LogP3.83
Rot. Bonds6

About 2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate

2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate (PubChem CID 156862878) has the molecular formula C17H24ClNO3Si and a molecular weight of 353.92 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate
PubChem CID156862878
Molecular FormulaC17H24ClNO3Si
Molecular Weight353.92 g/mol
Exact Mass353.12
IUPAC Name2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate
SMILESC[Si](C)(C)CCOC(=O)NC1(CC=O)Cc2cccc(Cl)c2C1
InChIInChI=1S/C17H24ClNO3Si/c1-23(2,3)10-9-22-16(21)19-17(7-8-20)11-13-5-4-6-15(18)14(13)12-17/h4-6,8H,7,9-12H2,1-3H3,(H,19,21)
InChIKeyGHNAZYDPXCCRQW-UHFFFAOYSA-N
XLogP3.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate (CID 156862878) is 2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate is C[Si](C)(C)CCOC(=O)NC1(CC=O)Cc2cccc(Cl)c2C1.
What is the InChIKey of 2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate?
The InChIKey is GHNAZYDPXCCRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3Si/c1-23(2,3)10-9-22-16(21)19-17(7-8-20)11-13-5-4-6-15(18)14(13)12-17/h4-6,8H,7,9-12H2,1-3H3,(H,19,21).
What are the key properties of 2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate?
2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate has a molecular weight of 353.92 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate is sourced from PubChem (CID 156862878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).