1,2,3-Metheno-1H,4H-3a,5,6a-triazacycloprop(cd)as-indacene-4,6(5H)-dione, hexahydro-5-phenyl-
Basic information
- CAS
30114-59-1- Standard SMILES
O=c1n(-c2ccccc2)c(=O)n2n1C1C3C4C5C1C5C2C43- InChIKey
FOVABRXCXSLHGN-UHFFFAOYSA-N- Molecular formula
- C16H13N3O2
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.10077667
Names & identifiers
- Preferred name
- 1,2,3-Metheno-1H,4H-3a,5,6a-triazacycloprop(cd)as-indacene-4,6(5H)-dione, hexahydro-5-phenyl-
- IUPAC
- 6-phenyl-4,6,8-triazahexacyclo[7.4.0.02,13.03,11.04,8.010,12]tridecane-5,7-dione
- English name
- 1,2,3-Metheno-1H,4H-3a,5,6a-triazacycloprop[cd]-as-indacene-4,6(5H)-dione,hexahydro-5-phenyl- (9CI)
- Molecular formula
- C16H13N3O2
- Molecular weight
- 279.29332
Names & synonyms
30114-59-1NSC254923NSC 2549231,2,3-Metheno-1H,4H-3a,5,6a-triazacycloprop(cd)as-indacene-4,6(5H)-dione, hexahydro-5-phenyl-1,2,3-Metheno-1H,4H-3a,5,6a-triazacycloprop[cd]as-indacene-4,6(5H)-dione, hexahydro-5-phenyl-DTXSID50952525RCL T174254AKOS024329365NSC-2549235-Phenylhexahydro-1H,4H-1,2,3-(methanetriyl)-3a,5,6a-triazacyclopropa[cd]-as-indacene-4,6(5H)-dione1,2,3-Metheno-1H,4H-3a,5,6a-triazacycloprop[cd]-as-indacene-4,6(5H)-dione,hexahydro-5-phenyl- (9CI)
Database identifiers
- CAS
30114-59-1- PubChem CID
- 429401
- DTXSID
DTXSID50952525
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 551
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Compound notes
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