tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate

C15H21NO2 — CID 163763965

IUPACtert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESC[C@@H]1Cc2ccccc2[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO2/c1-10-9-11-7-5-6-8-12(11)13(10)16-14(17)18-15(2,3)4/h5-8,10,13H,9H2,1-4H3,(H,16,17)/t10-,13-/m1/s1
InChIKeyAIKNFMVLQDFPJU-ZWNOBZJWSA-N
MW247.34 g/mol
LogP3.44
Rot. Bonds1

About tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 163763965) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID163763965
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nametert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESC[C@@H]1Cc2ccccc2[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO2/c1-10-9-11-7-5-6-8-12(11)13(10)16-14(17)18-15(2,3)4/h5-8,10,13H,9H2,1-4H3,(H,16,17)/t10-,13-/m1/s1
InChIKeyAIKNFMVLQDFPJU-ZWNOBZJWSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 164603518
tert-butyl N-[(1S,2S)-2-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292899
tert-butyl N-[(2R)-2-[[(2S)-2-phenylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292738
3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide
CID 110025348
tert-butyl N-[(2S)-2-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 153378658
tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 59684529
tert-butyl N-[(3S)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4,4-dimethylpent-1-en-3-yl]carbamate
CID 67593095
tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 28875372
2-chloro-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 3398398
4-methoxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 5152197
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111121271

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate (CID 163763965) is tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate is C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is AIKNFMVLQDFPJU-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-9-11-7-5-6-8-12(11)13(10)16-14(17)18-15(2,3)4/h5-8,10,13H,9H2,1-4H3,(H,16,17)/t10-,13-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 247.34 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 163763965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).