4-(Methoxymethyl)-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile
Basic information
- CAS
6974-13-6- Standard SMILES
CCCc1cc(COC)c(C#N)c(=O)[nH]1- InChIKey
LDWHLYYIBAQNPG-UHFFFAOYSA-N- Molecular formula
- C11H14N2O2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.10552769
Names & identifiers
- Preferred name
- 4-(Methoxymethyl)-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile
- IUPAC
- 4-(methoxymethyl)-2-oxo-6-propyl-1H-pyridine-3-carbonitrile
- English name
- 4-(methoxymethyl)-2-oxo-6-propyl-1H-pyridine-3-carbonitrile
- Molecular formula
- C11H14N2O2
- Molecular weight
- 0
Names & synonyms
6974-13-6NSC238074-(methoxymethyl)-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrileNSC-238073-Pyridinecarbonitrile,1,2-dihydro-4-(methoxymethyl)-2-oxo-6-propyl-NCIStruc1_000488NCIStruc2_000495CHEMBL1483213DTXSID20282008NCI23807CCG-38061NCGC00013298
Show more names
4-(methoxymethyl)-2-oxo-6-propyl-1H-pyridine-3-carbonitrile
NCGC00013298-02NCGC00096415-01NCI60_001909DS-004962
Database identifiers
- CAS
6974-13-6- PubChem CID
- 229815
- DTXSID
DTXSID20282008- ChEMBL
CHEMBL1483213
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…