ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate

C20H29NO3Si — CID 134837348

IUPACethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate
SMILESCCOC(=O)c1c2n(c3ccccc13)C[C@@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C20H29NO3Si/c1-7-23-19(22)18-15-10-8-9-11-16(15)21-13-14(12-17(18)21)24-25(5,6)20(2,3)4/h8-11,14H,7,12-13H2,1-6H3/t14-/m0/s1
InChIKeyFCHABXKYRAKSNW-AWEZNQCLSA-N
MW359.54 g/mol
LogP4.76
Rot. Bonds4

About ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate

ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate (PubChem CID 134837348) has the molecular formula C20H29NO3Si and a molecular weight of 359.54 g/mol. Its IUPAC name is ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate
PubChem CID134837348
Molecular FormulaC20H29NO3Si
Molecular Weight359.54 g/mol
Exact Mass359.19
IUPAC Nameethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate
SMILESCCOC(=O)c1c2n(c3ccccc13)C[C@@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C20H29NO3Si/c1-7-23-19(22)18-15-10-8-9-11-16(15)21-13-14(12-17(18)21)24-25(5,6)20(2,3)4/h8-11,14H,7,12-13H2,1-6H3/t14-/m0/s1
InChIKeyFCHABXKYRAKSNW-AWEZNQCLSA-N
XLogP4.76
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate?
The IUPAC name of ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate (CID 134837348) is ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate.
What is the SMILES notation for ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate?
The canonical SMILES for ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate is CCOC(=O)c1c2n(c3ccccc13)C[C@@H](O[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate?
The InChIKey is FCHABXKYRAKSNW-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H29NO3Si/c1-7-23-19(22)18-15-10-8-9-11-16(15)21-13-14(12-17(18)21)24-25(5,6)20(2,3)4/h8-11,14H,7,12-13H2,1-6H3/t14-/m0/s1.
What are the key properties of ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate?
ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate has a molecular weight of 359.54 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate is sourced from PubChem (CID 134837348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).