1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one

C23H17NO2 — CID 164674379

IUPAC1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one
SMILESO=C(c1ccccc1)N1CC2(Cc3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C23H17NO2/c25-21-18-11-5-4-10-17(18)14-23(21)15-24(20-13-7-6-12-19(20)23)22(26)16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyMCGAAGNQKNEEEU-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.02
Rot. Bonds1

About 1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one

1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one (PubChem CID 164674379) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one.

Molecular Properties

Compound Name1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one
PubChem CID164674379
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one
SMILESO=C(c1ccccc1)N1CC2(Cc3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C23H17NO2/c25-21-18-11-5-4-10-17(18)14-23(21)15-24(20-13-7-6-12-19(20)23)22(26)16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyMCGAAGNQKNEEEU-UHFFFAOYSA-N
XLogP4.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400
(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone
CID 71830919
2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone
CID 170975673
(2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one
CID 172635621
(2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid
CID 124813760
3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one
CID 139236870
(3R,4'S)-1-benzoyl-1'-methyl-4'-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,3'-azetidine]-2'-one
CID 164674382
2-benzoyl-1,3-dihydroisoquinolin-4-one
CID 15740840
2-(4-fluorobenzoyl)-3H-isoindol-1-one
CID 24763674
4-benzoyl-1-methyl-3H-quinoxalin-2-one
CID 110669540
(6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone
CID 56967286
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485

Frequently Asked Questions

What is the IUPAC name of 1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one?
The IUPAC name of 1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one (CID 164674379) is 1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one.
What is the SMILES notation for 1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one?
The canonical SMILES for 1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one is O=C(c1ccccc1)N1CC2(Cc3ccccc3C2=O)c2ccccc21.
What is the InChIKey of 1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one?
The InChIKey is MCGAAGNQKNEEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c25-21-18-11-5-4-10-17(18)14-23(21)15-24(20-13-7-6-12-19(20)23)22(26)16-8-2-1-3-9-16/h1-13H,14-15H2.
What are the key properties of 1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one?
1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one has a molecular weight of 339.39 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one is sourced from PubChem (CID 164674379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).