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'}

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

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Related Compounds

2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol
CID 101254997
2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane
CID 101222703
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
5-(chloromethyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine
CID 153357006
methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 23938891
4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid
CID 59648587
9-(2-methoxy-2-oxoethyl)-1-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83948274
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 153484145
methyl 8-bromo-4-(2-trimethylsilylethoxymethoxy)naphthalene-2-carboxylate
CID 21023517
methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate
CID 176706576
methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate
CID 140752402

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).