methyl 4-isopropyl-1H-pyrrole-2-carboxylate
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Basic information
- CAS
7165-07-3- Standard SMILES
COC(=O)c1cc(C(C)C)c[nH]1- InChIKey
JFMAEFAAICBJEQ-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Names & identifiers
- Preferred name
- methyl 4-isopropyl-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 4-propan-2-yl-1H-pyrrole-2-carboxylate
- English name
- Methyl 4-isopropyl-pyrrole-2-carboxylate
- Molecular formula
- C9H13NO2
- Molecular weight
- 0
Names & synonyms
methyl 4-isopropyl-1H-pyrrole-2-carboxylate7165-07-3Methyl 4-isopropyl-pyrrole-2-carboxylatemethyl 4-(propan-2-yl)-1H-pyrrole-2-carboxylateSCHEMBL1969064DTXSID20348719JFMAEFAAICBJEQ-UHFFFAOYSA-NMFCD09991924AKOS006311645SY460108DB-4025644-isopropyl-1H-pyrrole-2-carboxylic acid methyl ester
Show more names
1H-pyrrole-2-carboxylic acid, 4-(1-methylethyl)-, methyl esterInChI=1/C9H13NO2/c1-6(2)7-4-8(10-5-7)9(11)12-3/h4-6,10H,1-3H
Database identifiers
- CAS
7165-07-3- PubChem CID
- 640312
- DTXSID
DTXSID20348719
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
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Compound notes
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