5-Benzo[1,3]dioxol-5-YL-3,4-dihydro-2H-pyrrole
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Basic information
- CAS
95849-35-7- Standard SMILES
c1cc2c(cc1C1=NCCC1)OCO2- InChIKey
RPRANYVNLYWRGO-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- 5-Benzo[1,3]dioxol-5-YL-3,4-dihydro-2H-pyrrole
- IUPAC
- 5-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-pyrrole
- English name
- 5-Benzo[1,3]dioxol-5-yl-3,4-dihydro-2H-pyrrole
- Molecular formula
- C11H11NO2
- Molecular weight
- 189.21
Names & synonyms
95849-35-75-BENZO[1,3]DIOXOL-5-YL-3,4-DIHYDRO-2H-PYRROLE5-(Benzo[d][1,3]dioxol-5-yl)-3,4-dihydro-2H-pyrroleMFCD070212785-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-pyrrole5-(2H-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-pyrroleSCHEMBL3569157DTXSID20474704RPRANYVNLYWRGO-UHFFFAOYSA-NAKOS005257095SY2534762-(Benzodioxol-5-yl)-Δ1-pyrrolin
Show more names
2H-Pyrrole, 5-(1,3-benzodioxol-5-yl)-3,4-dihydro-
Database identifiers
- CAS
95849-35-7- PubChem CID
- 11957732
- DTXSID
DTXSID20474704
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 30.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 285.4 · 285.4±40.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 7.82 · 7.82±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
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Related reactions
1 records
Compound notes
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