Cas no 100131-78-0 (Ethanone,1-[2-methyl-4-(1-methylethyl)-1H-pyrrol-3-yl]-)
![Ethanone,1-[2-methyl-4-(1-methylethyl)-1H-pyrrol-3-yl]- structure](https://ossimg.kuujia.com/scimg/100500/100131-78-0x500.png)
100131-78-0 structure
Product Name:Ethanone,1-[2-methyl-4-(1-methylethyl)-1H-pyrrol-3-yl]-
CAS No:100131-78-0
MF:C10H15NO
MW:165.232202768326
CID:123967
PubChem ID:45086355
Update Time:2025-04-18
Ethanone,1-[2-methyl-4-(1-methylethyl)-1H-pyrrol-3-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[2-methyl-4-(1-methylethyl)-1H-pyrrol-3-yl]-
- Ketone,4-isopropyl-2-methylpyrrol-3-yl methyl (6CI)
- Ethanone, 1-[2-methyl-4-(1-methylethyl)-1H-pyrrol-3-yl]- (9CI)
- 100131-78-0
- 1-(4-Isopropyl-2-methyl-1H-pyrrol-3-yl)ethanone
-
- Inchi： 1S/C10H15NO/c1-6(2)9-5-11-7(3)10(9)8(4)12/h5-6,11H,1-4H3
- InChI Key： IUHURASDMYARKH-UHFFFAOYSA-N
- SMILES： O=C(C)C1=C(C)NC=C1C(C)C
Computed Properties
- Exact Mass: 164.10762
- Monoisotopic Mass: 165.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 177
- 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: 1.9
- Topological Polar Surface Area: 32.9?2
Experimental Properties
- PSA: 32.86
Ethanone,1-[2-methyl-4-(1-methylethyl)-1H-pyrrol-3-yl]- 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
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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