2-[(3aS,10cS)-1,3-dioxo-1H,2H,3H,3aH,4H,5H,6H,10cH-pyrrolo[3,4-c]carbazol-2-yl]-N,N-dimethylacetamide

• ChemBase ID: 180695
• Molecular Formular: C18H19N3O3
• Molecular Mass: 325.36176
• Monoisotopic Mass: 325.14264148
• SMILES: N1(C(=O)[C@@H]2c3c([nH]c4c3cccc4)CC[C@@H]2C1=O)CC(=O)N(C)C
• Canonical SMILES: O=C(N(C)C)CN1C(=O)[C@@H]2[C@H](C1=O)c1c(CC2)[nH]c2c1cccc2
• InChI: InChI=1S/C18H19N3O3/c1-20(2)14(22)9-21-17(23)11-7-8-13-15(16(11)18(21)24)10-5-3-4-6-12(10)19-13/h3-6,11,16,19H,7-9H2,1-2H3/t11-,16-/m0/s1
• InChIKey: WENJLFXQUOXWAM-ZBEGNZNMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3aS,10cS)-1,3-dioxo-1H,2H,3H,3aH,4H,5H,6H,10cH-pyrrolo[3,4-c]carbazol-2-yl]-N,N-dimethylacetamide
• IUPAC Traditional name: 2-[(3aS,10cS)-1,3-dioxo-3aH,4H,5H,6H,10cH-pyrrolo[3,4-c]carbazol-2-yl]-N,N-dimethylacetamide

Database IDs

• PubChem SID: 164236605
• PubChem CID: 11871957

CALCULATED PROPERTIES

• Acid pKa: 15.570887
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.480925
• LogD (pH = 7.4): 0.480925
• Log P: 0.480925
• Molar Refractivity: 88.4793 cm^3
• Polarizability: 34.97252 Å^3
• Polar Surface Area: 73.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds