3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one
Basic information
- CAS
27545-03-5- Standard SMILES
COC1(C)CNc2ccccc2C(=O)N1- InChIKey
ZRLHEEAZCRPXKQ-UHFFFAOYSA-N- Molecular formula
- C11H14N2O2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.10552769
Names & identifiers
- Preferred name
- 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one
- IUPAC
- 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one
Names & synonyms
27545-03-53-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-oneNSC 3430423-Methoxy-3-methyl-1,2,3,4-tetrahydro-5H-benzo[e][1,4]diazepin-5-oneNSC343042Maybridge3_000077Oprea1_154404DTXSID00319260HMS1431D11CCG-234599NSC-343042IDI1_011464
Show more names
DS-0089745H-1, 1,2,3,4-tetrahydro-3-methoxy-3-methyl-BRD-A35785861-001-01-83-Methoxy-3-methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one5H-1,4-BENZODIAZEPIN-5-ONE,1,2,3,4-TETRAHYDRO-3-METHOXY-3-METHYL-
Database identifiers
- CAS
27545-03-5- PubChem CID
- 335065
- DTXSID
DTXSID00319260
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…