Cas no 113056-55-6 (2-Buten-1-ol,2-methyl-4-[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(2E)-)
![2-Buten-1-ol,2-methyl-4-[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(2E)- structure](https://ossimg.kuujia.com/scimg/113500/113056-55-6x500.png)
113056-55-6 structure
Product Name:2-Buten-1-ol,2-methyl-4-[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(2E)-
CAS No:113056-55-6
MF:C16H22N2O
MW:258.358684062958
CID:179339
PubChem ID:6438492
Update Time:2025-04-19
2-Buten-1-ol,2-methyl-4-[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Buten-1-ol,2-methyl-4-[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(2E)-
- (E)-4-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-2-methylbut-2-en-1-ol
- 2-Buten-1-ol,2-methyl-4-[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-...
- pseudophrynaminol
- (2E)-2-methyl-4-[(3aR,8aR)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl]but-2-en-1-ol
- 2-Buten-1-ol, 2-methyl-4-(2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indol-3a(1H)-yl)-, (3aS-(3aalpha(E),8aalpha))-
- 2-Methyl-4-(2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indol-3a(1H)-yl)-2-buten-1-ol (3aS-(3aalpha(E),8aalpha))-
- 113056-55-6
-
- Inchi： 1S/C16H22N2O/c1-12(11-19)7-8-16-9-10-18(2)15(16)17-14-6-4-3-5-13(14)16/h3-7,15,17,19H,8-11H2,1-2H3/b12-7+/t15-,16-/m1/s1
- InChI Key： YUFJTBNXHFFQKN-PWEFJHHISA-N
- SMILES： OC/C(/C)=C/C[C@@]12C3C=CC=CC=3N[C@@H]1N(C)CC2
Computed Properties
- Exact Mass: 258.173213330g/mol
- Monoisotopic Mass: 258.173213330g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 368
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 35.5?2
2-Buten-1-ol,2-methyl-4-[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(2E)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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