spiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one

C19H14N2O — CID 67913292

IUPACspiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one
SMILESO=C1NC2(C3=CCC=CC3c3ccccc32)c2cnccc21
InChIInChI=1S/C19H14N2O/c22-18-14-9-10-20-11-17(14)19(21-18)15-7-3-1-5-12(15)13-6-2-4-8-16(13)19/h1-3,5-11,13H,4H2,(H,21,22)
InChIKeyWBJHHXMYMYGOHJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.05
Rot. Bonds

About spiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one

spiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one (PubChem CID 67913292) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is spiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one.

Molecular Properties

Compound Namespiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one
PubChem CID67913292
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Namespiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one
SMILESO=C1NC2(C3=CCC=CC3c3ccccc32)c2cnccc21
InChIInChI=1S/C19H14N2O/c22-18-14-9-10-20-11-17(14)19(21-18)15-7-3-1-5-12(15)13-6-2-4-8-16(13)19/h1-3,5-11,13H,4H2,(H,21,22)
InChIKeyWBJHHXMYMYGOHJ-UHFFFAOYSA-N
XLogP3.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one?
The IUPAC name of spiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one (CID 67913292) is spiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one.
What is the SMILES notation for spiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one?
The canonical SMILES for spiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one is O=C1NC2(C3=CCC=CC3c3ccccc32)c2cnccc21.
What is the InChIKey of spiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one?
The InChIKey is WBJHHXMYMYGOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c22-18-14-9-10-20-11-17(14)19(21-18)15-7-3-1-5-12(15)13-6-2-4-8-16(13)19/h1-3,5-11,13H,4H2,(H,21,22).
What are the key properties of spiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one?
spiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one has a molecular weight of 286.33 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one is sourced from PubChem (CID 67913292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).