Isopropyl 1-pyrrolidinecarboxylate
Basic information
- CAS
5327-22-0- Standard SMILES
CC(C)OC(=O)N1CCCC1- InChIKey
XQEPLYLEYBCDLB-UHFFFAOYSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- Isopropyl 1-pyrrolidinecarboxylate
- IUPAC
- propan-2-yl pyrrolidine-1-carboxylate
- English name
- Pyrrolidine-1-carboxylic acid isopropyl ester
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
1-Pyrrolidinecarboxylic acid isopropyl ester5327-22-0Isopropyl 1-pyrrolidinecarboxylate1-Pyrrolidinecarboxylic acid, isopropyl ester1-Pyrrolidinecarboxylic acid, 1-methylethyl esterNSC-3299A24SGZ59FGRefChem:1087668propan-2-yl pyrrolidine-1-carboxylateNSC 3299BRN 4381326SCHEMBL1713154
Show more names
Pyrrolidine-1-carboxylic acid isopropyl ester
SCHEMBL5412873DTXSID00967846NSC3299
Database identifiers
- CAS
5327-22-0- PubChem CID
- 79230
- DTXSID
DTXSID00967846- UNII
- A24SGZ59FG
- Nikkaji
- J51.443H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- FDA UNII
- 24 SGZ59FG · A24SGZ59FG
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Related reactions
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Compound notes
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