2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one

C11H11NO — CID 175898513

IUPAC2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one
SMILES[2H]CN1C(=O)c2ccccc2C12CC2
InChIInChI=1S/C11H11NO/c1-12-10(13)8-4-2-3-5-9(8)11(12)6-7-11/h2-5H,6-7H2,1H3/i1D
InChIKeyPOIRCARAYNXYDY-MICDWDOJSA-N
MW174.22 g/mol
LogP1.76
Rot. Bonds1

About 2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one

2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one (PubChem CID 175898513) has the molecular formula C11H11NO and a molecular weight of 174.22 g/mol. Its IUPAC name is 2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one.

Molecular Properties

Compound Name2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one
PubChem CID175898513
Molecular FormulaC11H11NO
Molecular Weight174.22 g/mol
Exact Mass174.09
IUPAC Name2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one
SMILES[2H]CN1C(=O)c2ccccc2C12CC2
InChIInChI=1S/C11H11NO/c1-12-10(13)8-4-2-3-5-9(8)11(12)6-7-11/h2-5H,6-7H2,1H3/i1D
InChIKeyPOIRCARAYNXYDY-MICDWDOJSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one
CID 122403145
3,3-bis(hydroxymethyl)-2-methylisoindol-1-one;ethane
CID 90770318
(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one
CID 848840
tert-butyl 4-oxospiro[3H-isoquinoline-1,1'-cyclopropane]-2-carboxylate
CID 175526815
2,4,4-trimethyl-3H-isoquinolin-1-one
CID 21300145
1,2',3-trimethylspiro[1,3-diazinane-5,3'-isoindole]-1',2,4-trione
CID 11323270
5-bromo-2-methylspiro[isoindole-3,4'-oxane]-1-one
CID 171798154
1-(hydroxymethyl)-2-methyl-3-oxoisoindole-1-carboxylic acid
CID 67470150
9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione
CID 134110005
3,3-dimethyl-2-oxidoisoindol-1-one
CID 172579170
3-(aminomethyl)-3-(hydroxymethyl)-2-methylisoindol-1-one;ethane
CID 91105211
1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 21398427

Frequently Asked Questions

What is the IUPAC name of 2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one?
The IUPAC name of 2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one (CID 175898513) is 2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one.
What is the SMILES notation for 2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one?
The canonical SMILES for 2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one is [2H]CN1C(=O)c2ccccc2C12CC2.
What is the InChIKey of 2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one?
The InChIKey is POIRCARAYNXYDY-MICDWDOJSA-N. The full InChI is InChI=1S/C11H11NO/c1-12-10(13)8-4-2-3-5-9(8)11(12)6-7-11/h2-5H,6-7H2,1H3/i1D.
What are the key properties of 2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one?
2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one has a molecular weight of 174.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one is sourced from PubChem (CID 175898513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).