2-Pyrrolidinemethanol, 1-(1,3-benzodioxol-5-ylacetyl)-
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Basic information
- CAS
38847-94-8- Standard SMILES
O=C(Cc1ccc2c(c1)OCO2)N1CCCC1CO- InChIKey
PNCIDEZDEIELJG-UHFFFAOYSA-N- Molecular formula
- C14H17NO4
- Average molar mass
- 263.29 g/mol
Names & identifiers
- Preferred name
- 2-Pyrrolidinemethanol, 1-(1,3-benzodioxol-5-ylacetyl)-
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
- English name
- [1-(1,3-Benzodioxol-5-ylacetyl)-2-pyrrolidinyl]methanol
- Molecular weight
- 0
Names & synonyms
2-Pyrrolidinemethanol, 1-(1,3-benzodioxol-5-ylacetyl)-PNCIDEZDEIELJG-UHFFFAOYSA-N[1-(1,3-Benzodioxol-5-ylacetyl)-2-pyrrolidinyl]methanol #1-(1,3-Benzodioxol-5-ylacetyl)-2-pyrrolidinemethanol[1-(1,3-Benzodioxol-5-ylacetyl)-2-pyrrolidinyl]methanol
Database identifiers
- CAS
38847-94-8- Nikkaji
- J141.021K
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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