Basic information
- CAS
766-45-0- Standard SMILES
CCC1=C(C)C(=O)NC1- InChIKey
ONWVNPNVIDSBDZ-UHFFFAOYSA-N- Molecular formula
- C7H11NO
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.08406397
Names & identifiers
- Preferred name
- 2H-Pyrrol-2-one, 4-ethyl-1,5-dihydro-3-methyl-
- IUPAC
- 3-ethyl-4-methyl-1,2-dihydropyrrol-5-one
- English name
- 2H-Pyrrol-2-one, 4-ethyl-1,5-dihydro-3-methyl-
- Molecular formula
- C7H11NO
- Molecular weight
- 125.17
Names & synonyms
766-45-02H-Pyrrol-2-one, 4-ethyl-1,5-dihydro-3-methyl-4-Ethyl-3-methyl-2,5-dihydro-1H-pyrrol-2-one3-ethyl-4-methyl-1,2-dihydropyrrol-5-one4-ethyl-3-methyl-1,5-dihydro-2H-pyrrol-2-oneSCHEMBL25049342DTXSID90416055AAA766454-ethyl-3-methyl-3-pyrrolin-2-oneAKOS006350089DB-3384894-ethyl-3-methyl-1,5-dihydro-pyrrol-2-one
Show more names
EN300-383857Z1203731042InChI=1/C7H11NO/c1-3-6-4-8-7(9)5(6)2/h3-4H2,1-2H3,(H,8,9
Database identifiers
- CAS
766-45-0- PubChem CID
- 5325838
- DTXSID
DTXSID90416055- Nikkaji
- J1.998.423K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 81 · 81-83 °C
- Boiling point
- 279 · 279.0±23.0 °C(Predicted)
- Density
- 0.977 · 0.977±0.06 g/cm3(Predicted)
- pka
- 14.44 · 14.44±0.60(Predicted)
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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