Basic information
- Standard SMILES
O=C(c1ccccc1)N1CC=CC1- InChIKey
KUGDOHYKOXCGOR-UHFFFAOYSA-N- Molecular formula
- C11H11NO
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.08406397
Names & identifiers
- Preferred name
- 1H-Pyrrole, 1-benzoyl-2,5-dihydro-
- IUPAC
- 2,5-dihydropyrrol-1-yl(phenyl)methanone
- English name
- (2,5-dihydro-1H-pyrrol-1-yl)(phenyl)methanone
- Molecular formula
- C11H11NO
- Molecular weight
- 173.21
Names & synonyms
15431-85-31H-Pyrrole, 1-benzoyl-2,5-dihydro-DTXSID40460104RefChem:240316DTXCID00410923(2,5-dihydro-1H-pyrrol-1-yl)(phenyl)methanone2,5-dihydropyrrol-1-yl(phenyl)methanone1-benzoyl-2,5-dihydro-1H-pyrrole1-benzoyl-3-pyrroline1-benzoyl-2,5-dihydropyrroleSCHEMBL33447881-Benzoyl-2,5-dihydro-pyrrole
Show more names
N-benzoyl-3-pyrrolineMethanone, (2,5-dihydro-1H-pyrrol-1-yl)phenyl-
KUGDOHYKOXCGOR-UHFFFAOYSA-NMFCD28139127DA-32155SY470049CS-0447353
Database identifiers
- CAS
15431-85-3- PubChem CID
- 11252283
- DTXSID
DTXSID40460104- Nikkaji
- J371.494B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 105 °C · 105 °C(Press: 0.05 Torr)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- pka
- -1.32 · -1.32±0.20(Predicted)
Chemistry & industry
Suppliers3 total
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
8 records
Linked notes
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