2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole

C18H21N — CID 135219400

IUPAC2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole
SMILESC[C@H]1CC2C=CC=CC2[C@H]1N1Cc2ccccc2C1
InChIInChI=1S/C18H21N/c1-13-10-14-6-4-5-9-17(14)18(13)19-11-15-7-2-3-8-16(15)12-19/h2-9,13-14,17-18H,10-12H2,1H3/t13-,14?,17?,18-/m0/s1
InChIKeyROMWGBMCSIPRQR-DKVDKTFMSA-N
MW251.37 g/mol
LogP3.77
Rot. Bonds1

About 2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole

2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole (PubChem CID 135219400) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole
PubChem CID135219400
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole
SMILESC[C@H]1CC2C=CC=CC2[C@H]1N1Cc2ccccc2C1
InChIInChI=1S/C18H21N/c1-13-10-14-6-4-5-9-17(14)18(13)19-11-15-7-2-3-8-16(15)12-19/h2-9,13-14,17-18H,10-12H2,1H3/t13-,14?,17?,18-/m0/s1
InChIKeyROMWGBMCSIPRQR-DKVDKTFMSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole with MolForge

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Related Compounds

1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine
CID 166025894
13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 169035410
N-[[(1S)-3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-bis(4-methylphenyl)silyl]-2-methylpropan-2-amine
CID 58649079
tert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+)
CID 59038577
2-cyclopropyl-1,3-dihydroisoindole
CID 12953703
carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+)
CID 162298138
1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095473
2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline
CID 134900673
dimethyl-(2-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
CID 58634122
2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095760
2-oxido-1,3-dihydroisoindole
CID 87431106
2-(6-methylpiperidin-3-yl)-1,3-dihydroisoindole
CID 63155487

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole?
The IUPAC name of 2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole (CID 135219400) is 2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole is C[C@H]1CC2C=CC=CC2[C@H]1N1Cc2ccccc2C1.
What is the InChIKey of 2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole?
The InChIKey is ROMWGBMCSIPRQR-DKVDKTFMSA-N. The full InChI is InChI=1S/C18H21N/c1-13-10-14-6-4-5-9-17(14)18(13)19-11-15-7-2-3-8-16(15)12-19/h2-9,13-14,17-18H,10-12H2,1H3/t13-,14?,17?,18-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole?
2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole has a molecular weight of 251.37 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole is sourced from PubChem (CID 135219400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).