2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane

C17H24BrNOSi — CID 101222703

IUPAC2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c2c(c3cc(Br)ccc31)CCC2
InChIInChI=1S/C17H24BrNOSi/c1-21(2,3)10-9-20-12-19-16-6-4-5-14(16)15-11-13(18)7-8-17(15)19/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyMKMGVTNHUADYQK-UHFFFAOYSA-N
MW366.38 g/mol
LogP5.20
Rot. Bonds5

About 2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane

2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane (PubChem CID 101222703) has the molecular formula C17H24BrNOSi and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane
PubChem CID101222703
Molecular FormulaC17H24BrNOSi
Molecular Weight366.38 g/mol
Exact Mass365.08
IUPAC Name2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c2c(c3cc(Br)ccc31)CCC2
InChIInChI=1S/C17H24BrNOSi/c1-21(2,3)10-9-20-12-19-16-6-4-5-14(16)15-11-13(18)7-8-17(15)19/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyMKMGVTNHUADYQK-UHFFFAOYSA-N
XLogP5.20
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 59267735
2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol
CID 101254997
3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 68882263
4,6-dibromo-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
CID 140829624
methyl 5-(1-hydroxyethyl)-4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylate
CID 101222728
2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140874605
2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol
CID 145066841
6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole
CID 155934568
2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 174065746
2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 168727886
5-bromo-4-methoxy-1-(2-trimethylsilylethoxymethyl)indole-2-carboxylic acid
CID 90181086
(NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine
CID 5399879

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane (CID 101222703) is 2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c2c(c3cc(Br)ccc31)CCC2.
What is the InChIKey of 2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is MKMGVTNHUADYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNOSi/c1-21(2,3)10-9-20-12-19-16-6-4-5-14(16)15-11-13(18)7-8-17(15)19/h7-8,11H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane?
2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 366.38 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 101222703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).