1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one

C22H23NO3 — CID 134690389

IUPAC1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CC2(CO1)c1ccccc1CN2C(=O)c1ccccc1
InChIInChI=1S/C22H23NO3/c1-15(2)20(24)19-12-22(14-26-19)18-11-7-6-10-17(18)13-23(22)21(25)16-8-4-3-5-9-16/h3-11,15,19H,12-14H2,1-2H3
InChIKeyMIJAYHXZRLQCIC-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.55
Rot. Bonds3

About 1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one

1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one (PubChem CID 134690389) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one
PubChem CID134690389
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CC2(CO1)c1ccccc1CN2C(=O)c1ccccc1
InChIInChI=1S/C22H23NO3/c1-15(2)20(24)19-12-22(14-26-19)18-11-7-6-10-17(18)13-23(22)21(25)16-8-4-3-5-9-16/h3-11,15,19H,12-14H2,1-2H3
InChIKeyMIJAYHXZRLQCIC-UHFFFAOYSA-N
XLogP3.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenacyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2875817
(1-Oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 5177411
3-Benzyl-3-hydroxy-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-isoindol-1-one
CID 616008
2-[(3S,4S)-4-[3-(trifluoromethyl)phenyl]oxolan-3-yl]isoindole-1,3-dione
CID 134844839
1-oxo-1-phenylpropan-2-yl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
CID 2914550
2-(3-Methoxy-4-phenylbutyl)isoindole-1,3-dione
CID 129861165
2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione
CID 126612390
2-[(3R,4R)-4-phenyloxolan-3-yl]isoindole-1,3-dione
CID 126612392
2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoate
CID 3751012
2-(1,3-Dioxoisoindolin-2-yl)ethyl 2-phenylbutanoate
CID 4985591
3-(ethoxymethyl)-2-(2-fluoroethyl)-7-methyl-3H-isoindol-1-one
CID 57640199
2-[[5-[1,1,2,2-Tetrafluoro-2-(2-fluorophenyl)ethyl]oxolan-2-yl]methyl]isoindole-1,3-dione
CID 87424407

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one (CID 134690389) is 1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one is CC(C)C(=O)C1CC2(CO1)c1ccccc1CN2C(=O)c1ccccc1.
What is the InChIKey of 1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one?
The InChIKey is MIJAYHXZRLQCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-15(2)20(24)19-12-22(14-26-19)18-11-7-6-10-17(18)13-23(22)21(25)16-8-4-3-5-9-16/h3-11,15,19H,12-14H2,1-2H3.
What are the key properties of 1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one?
1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one has a molecular weight of 349.43 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylspiro[1H-isoindole-3,4'-oxolane]-2'-yl)-2-methylpropan-1-one is sourced from PubChem (CID 134690389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).