spiro[2H-isoindole-3,1'-indene]-1-one

C16H11NO — CID 172685945

IUPACspiro[2H-isoindole-3,1'-indene]-1-one
SMILESO=C1NC2(C=Cc3ccccc32)c2ccccc21
InChIInChI=1S/C16H11NO/c18-15-12-6-2-4-8-14(12)16(17-15)10-9-11-5-1-3-7-13(11)16/h1-10H,(H,17,18)
InChIKeyBAQLHDOOROOTGQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.70
Rot. Bonds

About spiro[2H-isoindole-3,1'-indene]-1-one

spiro[2H-isoindole-3,1'-indene]-1-one (PubChem CID 172685945) has the molecular formula C16H11NO and a molecular weight of 233.27 g/mol. Its IUPAC name is spiro[2H-isoindole-3,1'-indene]-1-one.

Molecular Properties

Compound Namespiro[2H-isoindole-3,1'-indene]-1-one
PubChem CID172685945
Molecular FormulaC16H11NO
Molecular Weight233.27 g/mol
Exact Mass233.08
IUPAC Namespiro[2H-isoindole-3,1'-indene]-1-one
SMILESO=C1NC2(C=Cc3ccccc32)c2ccccc21
InChIInChI=1S/C16H11NO/c18-15-12-6-2-4-8-14(12)16(17-15)10-9-11-5-1-3-7-13(11)16/h1-10H,(H,17,18)
InChIKeyBAQLHDOOROOTGQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one
CID 124705216
3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one
CID 14902933
dimethyl 3-oxo-2H-isoindole-1,1-dicarboxylate
CID 125471809
spiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione
CID 170518385
3-tert-butyl-3-deuteriooxy-2H-isoindol-1-one
CID 58979741
N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide
CID 165354617
(3R)-2'-iodo-3'-phenylspiro[2H-isoindole-3,1'-indene]-1-one
CID 139095295
2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione
CID 11530851
2'-(4-methylphenyl)-3'-phenylspiro[2H-isoindole-3,1'-indene]-1-one
CID 141452538
hydron;isoindole-1,3-dione
CID 174301362
lithium isoindole-1,3-dione
CID 18764300
isoindole-1,3-dione;phosphane
CID 89428738

Frequently Asked Questions

What is the IUPAC name of spiro[2H-isoindole-3,1'-indene]-1-one?
The IUPAC name of spiro[2H-isoindole-3,1'-indene]-1-one (CID 172685945) is spiro[2H-isoindole-3,1'-indene]-1-one.
What is the SMILES notation for spiro[2H-isoindole-3,1'-indene]-1-one?
The canonical SMILES for spiro[2H-isoindole-3,1'-indene]-1-one is O=C1NC2(C=Cc3ccccc32)c2ccccc21.
What is the InChIKey of spiro[2H-isoindole-3,1'-indene]-1-one?
The InChIKey is BAQLHDOOROOTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO/c18-15-12-6-2-4-8-14(12)16(17-15)10-9-11-5-1-3-7-13(11)16/h1-10H,(H,17,18).
What are the key properties of spiro[2H-isoindole-3,1'-indene]-1-one?
spiro[2H-isoindole-3,1'-indene]-1-one has a molecular weight of 233.27 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-isoindole-3,1'-indene]-1-one is sourced from PubChem (CID 172685945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).