Cas no 16168-98-2 (Ethanone,1-[5-(1-methylethyl)-1H-pyrrol-3-yl]-)
![Ethanone,1-[5-(1-methylethyl)-1H-pyrrol-3-yl]- structure](https://ossimg.kuujia.com/scimg/16500/16168-98-2x500.png)
16168-98-2 structure
Product Name:Ethanone,1-[5-(1-methylethyl)-1H-pyrrol-3-yl]-
CAS No:16168-98-2
MF:C9H13NO
MW:151.205622434616
CID:121464
PubChem ID:13442901
Update Time:2025-04-18
Ethanone,1-[5-(1-methylethyl)-1H-pyrrol-3-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[5-(1-methylethyl)-1H-pyrrol-3-yl]-
- Ethanone, 1-[5-(1-methylethyl)-1H-pyrrol-3-yl]- (9CI)
- 1-(5-Isopropyl-1H-pyrrol-3-yl)ethanone
- 1-(5-propan-2-yl-1H-pyrrol-3-yl)ethanone
- 16168-98-2
- Ethanone,1-[5-(1-methylethyl)-1H-pyrrol-3-yl]-(9ci)
-
- Inchi： 1S/C9H13NO/c1-6(2)9-4-8(5-10-9)7(3)11/h4-6,10H,1-3H3
- InChI Key： OEYKVRFXFLFSMW-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CNC(=C1)C(C)C
Computed Properties
- Exact Mass: 150.09196
- Monoisotopic Mass: 151.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 154
- 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: 1.6
- Topological Polar Surface Area: 32.9?2
Experimental Properties
- PSA: 29.96
Ethanone,1-[5-(1-methylethyl)-1H-pyrrol-3-yl]- Related Literature
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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