4H-Furo(2,3-b)(1,5)benzodiazepin-4-one, 2,3,3a,5-tetrahydro-2-methyl-3a-(2-propenyl)-
Basic information
- CAS
77414-10-9- Standard SMILES
C=CCC12CC(C)OC1=Nc1ccccc1NC2=O- InChIKey
SYRXCXSDXGBKQR-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12117776
Names & identifiers
- Preferred name
- 4H-Furo(2,3-b)(1,5)benzodiazepin-4-one, 2,3,3a,5-tetrahydro-2-methyl-3a-(2-propenyl)-
- IUPAC
- 2-methyl-3a-prop-2-enyl-3,5-dihydro-2H-furo[3,2-c][1,5]benzodiazepin-4-one
Names & synonyms
BRN 596607177414-10-92,3,3a,5-Tetrahydro-2-methyl-3a-(2-propenyl)-4H-furo(2,3-b)(1,5)benzodiazepin-4-one4H-Furo(2,3-b)(1,5)benzodiazepin-4-one, 2,3,3a,5-tetrahydro-2-methyl-3a-(2-propenyl)-RefChem:297522NSC605436DTXSID90998624NSC-6054363a-allyl-2-methyl-3,5-dihydro-2H-furo[3,2-c][1,5]benzodiazepin-4-one2-Methyl-3a-(prop-2-en-1-yl)-3,3a-dihydro-2H-furo[2,3-b][1,5]benzodiazepin-4-ol3a-Allyl-2-methyl-2,3,3a,5-tetrahydro-4H-furo[2,3-b][1,5]benzodiazepin-4-one
Database identifiers
- CAS
77414-10-9- PubChem CID
- 354288
- DTXSID
DTXSID90998624
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 432
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Compound notes
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