3,4-dimethyl-1,5-dihydro-(2H)-pyrrol-2-one
Basic information
- CAS
4030-22-2- Standard SMILES
CC1=C(C)C(=O)NC1- InChIKey
AYGIBSZRMXDJEG-UHFFFAOYSA-N- Molecular formula
- C6H9NO
- Average molar mass
- 111.14 g/mol
- Monoisotopic mass
- 111.06841391
Names & identifiers
- Preferred name
- 3,4-dimethyl-1,5-dihydro-(2H)-pyrrol-2-one
- IUPAC
- 3,4-dimethyl-1,2-dihydropyrrol-5-one
- English name
- 3,4-Dimethyl-2,5-dihydro-1H-pyrrol-2-one
- Molecular formula
- C6H9NO
- Molecular weight
- 111.14
Names & synonyms
4030-22-2DTXSID3010158693,4-dimethyl-1,5-dihydro-(2H)-pyrrol-2-oneRefChem:1065785DTXCID6014740243,4-Dimethyl-1,5-dihydro-2H-pyrrol-2-one3,4-Dimethyl-3-pyrrolin-2-one3,4-dimethyl-2,5-dihydro-1h-pyrrol-2-oneMFCD001115703,4-dimethyl-1h-pyrrol-2(5h)-one3,4-dimethyl-1,2-dihydropyrrol-5-onePYR-0222
Show more names
3,4-Dimethyl-3-pyrrolin-2-one, 2,5-Dihydro-3,4-dimethyl-2-oxo-1H-pyrrole
1,5-Dihydro-3,4-dimethyl-2H-pyrrol-2-one2H-Pyrrol-2-one, 1,5-dihydro-3,4-dimethyl-89686-42-0SCHEMBL3699228SCHEMBL12493115SCHEMBL16884986AYGIBSZRMXDJEG-UHFFFAOYSA-NSBB055792
Database identifiers
- CAS
4030-22-2- PubChem CID
- 574037
- DTXSID
DTXSID301015869- Nikkaji
- J1.751.190D
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 125 °C · 125 °C
- Boiling point
- 269.4 · 269.4±23.0 °C(Predicted)
- Density
- 1.005 · 1.005±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 14.44 · 14.44±0.60(Predicted)
- color
- WHITE
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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