2-Propen-1-one, 3-hydroxy-1-(4-(2-phenylethyl)-1H-pyrrol-3-yl)-3-(1H-tetrazol-5-yl)-
Basic information
- CAS
280571-15-5- Standard SMILES
O=C(C=C(O)c1c[nH]c(CCc2ccccc2)c1)c1nn[nH]n1- InChIKey
QQXWFQOLMYYAOP-UHFFFAOYSA-N- Molecular formula
- C16H15N5O2
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.12257474
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3-hydroxy-1-(4-(2-phenylethyl)-1H-pyrrol-3-yl)-3-(1H-tetrazol-5-yl)-
- IUPAC
- 3-hydroxy-3-[5-(2-phenylethyl)-1H-pyrrol-3-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-one
Names & synonyms
280571-15-52-Propen-1-one, 3-hydroxy-1-(4-(2-phenylethyl)-1H-pyrrol-3-yl)-3-(1H-tetrazol-5-yl)-2-Propen-1-one, 3-hydroxy-1-[4-(2-phenylethyl)-1H-pyrrol-3-yl]-3-(1H-tetrazol-5-yl)-DTXSID709507403-hydroxy-3-[5-(2-phenylethyl)-1h-pyrrol-3-yl]-1-(2h-tetrazol-5-yl)prop-2-en-1-one3-hydroxy-1-(5-phenethyl-1H-pyrrol-3-yl)-3-(1H-tetrazol-5-yl)prop-2-en-1-one
Database identifiers
- CAS
280571-15-5- PubChem CID
- 489188
- DTXSID
DTXSID70950740
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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