methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate

C11H13NO2 — CID 86336587

IUPACmethyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate
SMILESCOC(=O)C[C@H]1NCc2ccccc21
InChIInChI=1S/C11H13NO2/c1-14-11(13)6-10-9-5-3-2-4-8(9)7-12-10/h2-5,10,12H,6-7H2,1H3/t10-/m1/s1
InChIKeyUKJHXIGPZLFOCH-SNVBAGLBSA-N
MW191.23 g/mol
LogP1.39
Rot. Bonds2

About methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate

methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate (PubChem CID 86336587) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate
PubChem CID86336587
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate
SMILESCOC(=O)C[C@H]1NCc2ccccc21
InChIInChI=1S/C11H13NO2/c1-14-11(13)6-10-9-5-3-2-4-8(9)7-12-10/h2-5,10,12H,6-7H2,1H3/t10-/m1/s1
InChIKeyUKJHXIGPZLFOCH-SNVBAGLBSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783
2-(2,3-dihydro-1H-isoindol-1-yl)-1-pyrrolidin-1-ylethanone
CID 115104686
2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde
CID 89299506
methyl 2-(2-bromo-6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)acetate
CID 19591908
methyl 2-(6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
CID 105474196
2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol
CID 129390481
6-(2-methoxy-2-oxoethyl)-6,11-dihydro-5H-benzo[c][1]benzazepine-2-carboxylic acid
CID 19591893
2-(2,3-dihydro-1H-isoindol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide
CID 166329396
1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104609
methyl 2-(8-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)acetate
CID 105496163
1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole
CID 65047103
1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole
CID 106731755

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate?
The IUPAC name of methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate (CID 86336587) is methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate.
What is the SMILES notation for methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate?
The canonical SMILES for methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate is COC(=O)C[C@H]1NCc2ccccc21.
What is the InChIKey of methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate?
The InChIKey is UKJHXIGPZLFOCH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-11(13)6-10-9-5-3-2-4-8(9)7-12-10/h2-5,10,12H,6-7H2,1H3/t10-/m1/s1.
What are the key properties of methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate?
methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate has a molecular weight of 191.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate is sourced from PubChem (CID 86336587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).