1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one

C17H24BNO4 — CID 89471908

IUPAC1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one
SMILESCOCCN1C(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc21
InChIInChI=1S/C17H24BNO4/c1-16(2)17(3,4)23-18(22-16)13-7-6-12-10-15(20)19(8-9-21-5)14(12)11-13/h6-7,11H,8-10H2,1-5H3
InChIKeyCMJSRSCKIJVDDL-UHFFFAOYSA-N
MW317.19 g/mol
LogP1.52
Rot. Bonds4

About 1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one

1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one (PubChem CID 89471908) has the molecular formula C17H24BNO4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one
PubChem CID89471908
Molecular FormulaC17H24BNO4
Molecular Weight317.19 g/mol
Exact Mass317.18
IUPAC Name1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one
SMILESCOCCN1C(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc21
InChIInChI=1S/C17H24BNO4/c1-16(2)17(3,4)23-18(22-16)13-7-6-12-10-15(20)19(8-9-21-5)14(12)11-13/h6-7,11H,8-10H2,1-5H3
InChIKeyCMJSRSCKIJVDDL-UHFFFAOYSA-N
XLogP1.52
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Ethyloxindole
CID 66135
3-(ethoxymethylene)-1-ethyl-1,3-dihydro-2H-indol-2-one
CID 5346946
(E)-3-(ethoxymethylene)-1-ethylindolin-2-one
CID 658188
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one
CID 21931486
3-(1-ethoxyethylidene)-1-ethyl-1,3-dihydro-2H-indol-2-one
CID 2265379
1-Propylindolin-2-one
CID 323718
(5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1903886
tert-butyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole-1-carboxylate
CID 18451469
6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indol-2-one
CID 46739162
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one
CID 46739223
Oxindole-7-boronic acid, pinacol ester
CID 46739224
tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole-1-carboxylate
CID 59418722

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one?
The IUPAC name of 1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one (CID 89471908) is 1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one is COCCN1C(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.
What is the InChIKey of 1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one?
The InChIKey is CMJSRSCKIJVDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BNO4/c1-16(2)17(3,4)23-18(22-16)13-7-6-12-10-15(20)19(8-9-21-5)14(12)11-13/h6-7,11H,8-10H2,1-5H3.
What are the key properties of 1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one?
1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one has a molecular weight of 317.19 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one is sourced from PubChem (CID 89471908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).