tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate

C14H18BrNO2 — CID 125470418

IUPACtert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2cccc(Br)c21
InChIInChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-11-8-7-9-5-4-6-10(15)12(9)11/h4-6,11H,7-8H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyDPLVFRUWOVZHTL-LLVKDONJSA-N
MW312.21 g/mol
LogP3.96
Rot. Bonds1

About tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 125470418) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID125470418
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Nametert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2cccc(Br)c21
InChIInChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-11-8-7-9-5-4-6-10(15)12(9)11/h4-6,11H,7-8H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyDPLVFRUWOVZHTL-LLVKDONJSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid
CID 125041541
tert-butyl N-(1-bromo-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate
CID 67132756
tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 59505686
tert-butyl N-[4-(2,6-dibromoanilino)cyclohexyl]carbamate
CID 107597180
tert-butyl N-[(11S)-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-11-yl]carbamate
CID 155189855
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 19433660
5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate
CID 164982080
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-[4-(3-bromo-2-methylanilino)cyclohexyl]carbamate
CID 107629945
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate
CID 67132740
tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate
CID 107597184

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate (CID 125470418) is tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCc2cccc(Br)c21.
What is the InChIKey of tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is DPLVFRUWOVZHTL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-11-8-7-9-5-4-6-10(15)12(9)11/h4-6,11H,7-8H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 312.21 g/mol, XLogP of 3.96, 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)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 125470418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).