tert-Butyl 1H-pyrrol-3-ylcarbamate
Basic information
- CAS
85685-00-3- Standard SMILES
CC(C)(C)OC(=O)Nc1cc[nH]c1- InChIKey
CYFQYWSHWMLADG-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2
- Average molar mass
- 182.22 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 1H-pyrrol-3-ylcarbamate
- IUPAC
- tert-butyl N-(1H-pyrrol-3-yl)carbamate
- English name
- Carbamic acid, 1H-pyrrol-3-yl-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C9H14N2O2
- Molecular weight
- 182.22
Names & synonyms
85685-00-3tert-Butyl 1H-pyrrol-3-ylcarbamate2-Methyl-2-propanyl 1H-pyrrol-3-ylcarbamateSCHEMBL5334959TAA90454tert-butyl N-(1H-pyrrol-3-yl)carbamateCarbamic acid, 1H-pyrrol-3-yl-, 1,1-dimethylethyl ester (9CI)
Database identifiers
- CAS
85685-00-3
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
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Compound notes
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