Basic information
- CAS
60290-03-1- Standard SMILES
O=C(O)C=Cc1cccn1Cc1ccccc1- InChIKey
FAQBKSZZQDTEOJ-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Names & identifiers
- Preferred name
- 3-(1-Benzyl-1H-pyrrol-2-yl)prop-2-enoic acid
- IUPAC
- 3-(1-benzylpyrrol-2-yl)prop-2-enoic acid
- English name
- 3-[2-(N-BENZYL)PYRROLYL] ACRYLIC ACID
- Molecular formula
- C14H13NO2
- Molecular weight
- 227.26
Names & synonyms
3-[2-(N-Benzyl)pyrrolyl] acrylic acid(E)-3-(1-benzylpyrrol-2-yl)prop-2-enoic acid3-(1-Benzyl-1H-pyrrol-2-yl)prop-2-enoic acidSCHEMBL4782783DTXSID60694585(E)-3-(1-Benzyl-1H-pyrrol-2-yl)acrylic acid2-Propenoic acid, 3-[1-(phenylmethyl)-1H-pyrrol-2-yl]-, (E)- (9CI)
Database identifiers
- CAS
60290-03-1- PubChem CID
- 53399232
- DTXSID
DTXSID60694585
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Chemistry & industry
Suppliers1 total
SINOVA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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