1-(Pyrrolidin-2-yl)propan-2-one
PubChem CID: 45085262
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| Compound Synonyms | 1-(Pyrrolidin-2-yl)propan-2-one, 71294-64-9, 1-pyrrolidin-2-ylpropan-2-one, Norhygrine, DTXSID50665800, 1-(2-PYRROLIDINYL)-2-PROPANONE, SCHEMBL10963632, 1-(2-pyrrolidyl)-propan-2-one, DTXCID00616549, AKOS006351312, 2-Propanone,1-(2-pyrrolidinyl)-(9ci), 2-PROPANONE, 1-(2-PYRROLIDINYL)-, DB-270794, NS00094736, EN300-99766 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | ZAJDAGLJUKMNJL-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | N-Demethylhygrine, Norhygrine |
| Heavy Atom Count | 9.0 |
| Compound Name | 1-(Pyrrolidin-2-yl)propan-2-one |
| Description | Norhygrine is a member of the class of compounds known as beta-amino ketones. Beta-amino ketones are ketones containing a carboxylic acid, and an amine group attached to the beta carbon atom, relative to the C=O group. Norhygrine is soluble (in water) and an extremely weak acidic compound (based on its pKa). Norhygrine can be found in pomegranate, which makes norhygrine a potential biomarker for the consumption of this food product. |
| Exact Mass | 127.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 127.1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 111.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 127.18 |
| Database Name | fooddb_chem_all;npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-pyrrolidin-2-ylpropan-2-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3 |
| Smiles | CC(=O)CC1CCCN1 |
| Xlogp | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C7H13NO |
- 1. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:fooddb_chem_all