3,4-Dihydro-3,3-dimethyl[1,3]dioxolo[4,5-j]phenanthridin-1(2H)-one

HCID 355341

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 67496-33-7
Standard SMILES: CC1(C)CC(=O)c2c(ncc3cc4c(cc23)OCO4)C1
InChIKey: PAVXXTMJCACAHD-UHFFFAOYSA-N
Molecular formula: C16H15NO3
Average molar mass: 269.29 g/mol
Monoisotopic mass: 269.10519334

Names & identifiers

Preferred name: 3,4-Dihydro-3,3-dimethyl[1,3]dioxolo[4,5-j]phenanthridin-1(2H)-one
IUPAC: 3,3-dimethyl-2,4-dihydro-[1,3]dioxolo[4,5-j]phenanthridin-1-one

Names & synonyms

67496-33-73,4-Dihydro-3,3-dimethyl[1,3]dioxolo[4,5-j]phenanthridin-1(2H)-one3,4-Dihydro-3,3-dimethyl(1,3)dioxolo(4,5-j)phenanthridin-1(2H)-oneRefChem:271006NSC6087023,3-dimethyl-3,4-dihydro[1,3]dioxolo[4,5-j]phenanthridin-1(2H)-oneDTXSID801166247NSC-6087023,3-dimethyl-2,4-dihydro-[1,3]dioxolo[4,5-j]phenanthridin-1-on3,3-Dimethyl-3,4-dihydro-9H-[1,3]dioxolo[4,5-j]phenanthridin-1(2H)-one

Database identifiers

CAS: 67496-33-7
PubChem CID: 355341
DTXSID: DTXSID801166247

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 48.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 20
Formal charge: 0
Complexity: 422

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…