Basic information
- CAS
6249-29-2- Standard SMILES
O=C/C=C/c1ccc[nH]1- InChIKey
WEKLAUVUZROOPR-DUXPYHPUSA-N- Molecular formula
- C7H7NO
- Average molar mass
- 121.14 g/mol
- Monoisotopic mass
- 121.05276385
Names & identifiers
- Preferred name
- 3-(1H-pyrrol-2-yl)prop-2-enal
- IUPAC
- (E)-3-(1H-pyrrol-2-yl)prop-2-enal
Names & synonyms
49616-64-03-(1H-pyrrol-2-yl)prop-2-enal(2E)-3-(1H-PYRROL-2-YL)PROP-2-ENAL(E)-3-(1h-Pyrrol-2-yl)acrylaldehyde(E)-3-(1H-pyrrol-2-yl)prop-2-enalMFCD03931696beta-(alpha-pyrrolyl)-acroleinSCHEMBL34628513-(1h-pyrrol-2-yl)-2-propenalAKOS022632936NS-01027CS-0270877
Show more names
EN300-1859809
Database identifiers
- CAS
6249-29-2- PubChem CID
- 6283418
- EC Number
- 123-619-9
- Nikkaji
- J3.245.193D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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