4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-propyl-
Basic information
- CAS
20973-05-1- Standard SMILES
CCCN1COc2ccccc2C1=O- InChIKey
NULIEPRMFAOWHI-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-propyl-
- IUPAC
- 3-propyl-2H-1,3-benzoxazin-4-one
- English name
- 3-Propyl-2H-1,3-benzoxazin-4(3H)-one
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
4H-1,3-BENZOXAZIN-4-ONE, 2,3-DIHYDRO-3-PROPYL-20973-05-1BRN 15706012,3-Dihydro-3-propyl-4H-1,3-benzoxazin-4-oneDTXSID70175158RefChem:297027DTXCID20976493-Propyl-2H-1,3-benzoxazin-4(3H)-one3-propyl-2,3-dihydro-4H-1,3-benzoxazin-4-one
Database identifiers
- CAS
20973-05-1- PubChem CID
- 30408
- DTXSID
DTXSID70175158- Nikkaji
- J67.841D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
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Compound notes
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