Cas no 78827-85-7 (1H-Indole, 1-acetyl-5-methyl-)
1H-Indole, 1-acetyl-5-methyl- structure
Product Name:1H-Indole, 1-acetyl-5-methyl-
CAS No:78827-85-7
MF:C11H11NO
MW:173.211142778397
CID:533817
PubChem ID:13558034
Update Time:2025-04-19
1H-Indole, 1-acetyl-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 1-acetyl-5-methyl-
- 1-(5-methylindol-1-yl)ethanone
- DTXSID60543827
- 78827-85-7
- SCHEMBL10837082
- 1-(5-Methyl-1H-indol-1-yl)ethan-1-one
-
- Inchi： 1S/C11H11NO/c1-8-3-4-11-10(7-8)5-6-12(11)9(2)13/h3-7H,1-2H3
- InChI Key： XOEOBALOPJFJOV-UHFFFAOYSA-N
- SMILES： O=C(C)N1C=CC2C=C(C)C=CC1=2
Computed Properties
- Exact Mass: 173.084063974g/mol
- Monoisotopic Mass: 173.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 22?2
1H-Indole, 1-acetyl-5-methyl- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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