tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate

C14H18BrNO2 — CID 59505686

IUPACtert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2ccc(Br)cc21
InChIInChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-12-7-5-9-4-6-10(15)8-11(9)12/h4,6,8,12H,5,7H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyYZEZLDIZHPBHGQ-GFCCVEGCSA-N
MW312.21 g/mol
LogP3.96
Rot. Bonds1

About tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 59505686) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID59505686
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Nametert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2ccc(Br)cc21
InChIInChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-12-7-5-9-4-6-10(15)8-11(9)12/h4,6,8,12H,5,7H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyYZEZLDIZHPBHGQ-GFCCVEGCSA-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

(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
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-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate
CID 130067133
tert-butyl N-[(1R)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-[(1S)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-(7-amino-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
CID 158735522
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 19433660
tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 125470418
tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate
CID 122463460
tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate
CID 107237644
tert-butyl N-[(2R)-5-bromo-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 176982067
tert-butyl N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 165051742
tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139330971
tert-butyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[5-(2-chloropyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate;2,4-dichloropyrimidine
CID 157252767

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate (CID 59505686) is tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCc2ccc(Br)cc21.
What is the InChIKey of tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is YZEZLDIZHPBHGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-12-7-5-9-4-6-10(15)8-11(9)12/h4,6,8,12H,5,7H2,1-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1R)-6-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)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 59505686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).