methyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate

C21H31NO4Si — CID 101222728

IUPACmethyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate
SMILESCOC(=O)c1cc(C(C)O)c2c(c1)c1c(n2COCC[Si](C)(C)C)CCC1
InChIInChI=1S/C21H31NO4Si/c1-14(23)17-11-15(21(24)25-2)12-18-16-7-6-8-19(16)22(20(17)18)13-26-9-10-27(3,4)5/h11-12,14,23H,6-10,13H2,1-5H3
InChIKeyFAGMFJBSVNZHCQ-UHFFFAOYSA-N
MW389.57 g/mol
LogP4.28
Rot. Bonds7

About methyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate

methyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate (PubChem CID 101222728) has the molecular formula C21H31NO4Si and a molecular weight of 389.57 g/mol. Its IUPAC name is methyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate
PubChem CID101222728
Molecular FormulaC21H31NO4Si
Molecular Weight389.57 g/mol
Exact Mass389.20
IUPAC Namemethyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate
SMILESCOC(=O)c1cc(C(C)O)c2c(c1)c1c(n2COCC[Si](C)(C)C)CCC1
InChIInChI=1S/C21H31NO4Si/c1-14(23)17-11-15(21(24)25-2)12-18-16-7-6-8-19(16)22(20(17)18)13-26-9-10-27(3,4)5/h11-12,14,23H,6-10,13H2,1-5H3
InChIKeyFAGMFJBSVNZHCQ-UHFFFAOYSA-N
XLogP4.28
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate?
The IUPAC name of methyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate (CID 101222728) is methyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate.
What is the SMILES notation for methyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate?
The canonical SMILES for methyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate is COC(=O)c1cc(C(C)O)c2c(c1)c1c(n2COCC[Si](C)(C)C)CCC1.
What is the InChIKey of methyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate?
The InChIKey is FAGMFJBSVNZHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO4Si/c1-14(23)17-11-15(21(24)25-2)12-18-16-7-6-8-19(16)22(20(17)18)13-26-9-10-27(3,4)5/h11-12,14,23H,6-10,13H2,1-5H3.
What are the key properties of methyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate?
methyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate has a molecular weight of 389.57 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate is sourced from PubChem (CID 101222728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).