1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole

C16H16N2 — CID 134966624

IUPAC1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
SMILESc1ccc2c(c1)CNC2[C@H]1NCc2ccccc21
InChIInChI=1S/C16H16N2/c1-3-7-13-11(5-1)9-17-15(13)16-14-8-4-2-6-12(14)10-18-16/h1-8,15-18H,9-10H2/t15-,16?/m0/s1
InChIKeyLDQOEBZLGBYEEX-VYRBHSGPSA-N
MW236.32 g/mol
LogP2.68
Rot. Bonds1

About 1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole

1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole (PubChem CID 134966624) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
PubChem CID134966624
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
SMILESc1ccc2c(c1)CNC2[C@H]1NCc2ccccc21
InChIInChI=1S/C16H16N2/c1-3-7-13-11(5-1)9-17-15(13)16-14-8-4-2-6-12(14)10-18-16/h1-8,15-18H,9-10H2/t15-,16?/m0/s1
InChIKeyLDQOEBZLGBYEEX-VYRBHSGPSA-N
XLogP2.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2aS,8bR)-2a,3,4,8b-tetrahydro-1H-azeto[3,2-c]isoquinolin-2-one
CID 139094638
4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine
CID 83261375
(1S)-1-fluoro-2,3-dihydro-1H-isoindole
CID 97110854
1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole
CID 90693378
(4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline
CID 15939421
(1R)-1-tert-butyl-2,3-dihydro-1H-isoindole
CID 139332278
(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole
CID 158376445
(1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline
CID 135278031
1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole
CID 65047102
1-ethynyl-2,3-dihydro-1H-isoindole
CID 137352991
1-ethenyl-2,3-dihydro-1H-isoindole
CID 89142586
1,2,2a,3,4,8b-hexahydrocyclobuta[c]isoquinoline
CID 154316828

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole (CID 134966624) is 1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole is c1ccc2c(c1)CNC2[C@H]1NCc2ccccc21.
What is the InChIKey of 1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole?
The InChIKey is LDQOEBZLGBYEEX-VYRBHSGPSA-N. The full InChI is InChI=1S/C16H16N2/c1-3-7-13-11(5-1)9-17-15(13)16-14-8-4-2-6-12(14)10-18-16/h1-8,15-18H,9-10H2/t15-,16?/m0/s1.
What are the key properties of 1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole?
1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole has a molecular weight of 236.32 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 134966624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).