1-(2,3-Dihydro-1H-indol-1-yl)prop-2-en-1-one - CAS 104902-94-5
Catalog: |
BB055805 |
Product Name: |
1-(2,3-Dihydro-1H-indol-1-yl)prop-2-en-1-one |
CAS: |
104902-94-5 |
Synonyms: |
1-(2,3-dihydro-1H-indol-1-yl)prop-2-en-1-one; 1-(2,3-DIHYDROINDOL-1-YL)PROP-2-EN-1-ONE |
IUPAC Name: | 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one |
Description: | 1-(2,3-Dihydro-1H-indol-1-yl)prop-2-en-1-one is a useful compound for the preparation of acrylamide-functionalized indolines and indoles as MTORC1 modulators for treatment of cancer, neurodegenerative and metabolic diseases. |
Molecular Weight: | 173.21 |
Molecular Formula: | C11H11NO |
Canonical SMILES: | C=CC(=O)N1CCC2=CC=CC=C21 |
InChI: | InChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2 |
InChI Key: | MBODXUXQQPORNR-UHFFFAOYSA-N |
Melting Point: | 74-76°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C Freezer |
References: | Nomura, D. K., et al. PCT Int. Appl. (2019), WO 2019075386 A1. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2022033644-A | Dental curable composition | 20200817 |
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US-2019290778-A1 | Methods and compounds for targeted autophagy | 20180323 |
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WO-2019075386-A1 | MODULATORS OF MTORC1 | 20171013 |
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Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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