Cas no 324570-74-3 (1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-(1-methylethyl)- (9CI))
324570-74-3 structure
Product Name:1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-(1-methylethyl)- (9CI)
CAS No:324570-74-3
MF:C9H13NO
MW:151.205622434616
CID:1017797
PubChem ID:22059241
Update Time:2025-04-20
1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-(1-methylethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-(1-methylethyl)- (9CI)
- 5-methyl-3-propan-2-yl-1H-pyrrole-2-carbaldehyde
- HQXDSLNUNPRMFK-UHFFFAOYSA-N
- SCHEMBL6090233
- DTXSID90622134
- 3-Isopropyl-5-methylpyrrole-2-carboxaldehyde
- 3-isopropyl-5-methyl-1h-pyrrole-2-carbaldehyde
- DB-279850
- 1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-(1-methylethyl)-
- 324570-74-3
- 5-Methyl-3-(propan-2-yl)-1H-pyrrole-2-carbaldehyde
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- Inchi: 1S/C9H13NO/c1-6(2)8-4-7(3)10-9(8)5-11/h4-6,10H,1-3H3
- InChI Key: HQXDSLNUNPRMFK-UHFFFAOYSA-N
- SMILES: O=CC1=C(C=C(C)N1)C(C)C
Computed Properties
- Exact Mass: 151.09979
- 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: 145
- 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
- Topological Polar Surface Area: 32.9?2
Experimental Properties
- PSA: 32.86
1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-(1-methylethyl)- (9CI) Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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