tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate

C16H20BrNO2 — CID 122463460

IUPACtert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC12CCc1cc(Br)ccc12
InChIInChI=1S/C16H20BrNO2/c1-15(2,3)20-14(19)18-13-9-16(13)7-6-10-8-11(17)4-5-12(10)16/h4-5,8,13H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyOYHHICHWLCEVDN-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.93
Rot. Bonds1

About tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate

tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate (PubChem CID 122463460) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate
PubChem CID122463460
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC Nametert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC12CCc1cc(Br)ccc12
InChIInChI=1S/C16H20BrNO2/c1-15(2,3)20-14(19)18-13-9-16(13)7-6-10-8-11(17)4-5-12(10)16/h4-5,8,13H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyOYHHICHWLCEVDN-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid
CID 122463510
tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate
CID 122463522
(1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 138109460
tert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate
CID 130067133
tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 59505686
tert-butyl 6-bromo-4'-(dimethylamino)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-carboxylate
CID 154728130
tert-butyl N-[(2R)-5-bromo-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 176982067
5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate
CID 164982080
[(3R)-7-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydroquinolin-1-yl] tert-butyl carbonate
CID 59627117
(1'R,3R)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 124572230
(1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 129284661
6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057075

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate?
The IUPAC name of tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate (CID 122463460) is tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate is CC(C)(C)OC(=O)NC1CC12CCc1cc(Br)ccc12.
What is the InChIKey of tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate?
The InChIKey is OYHHICHWLCEVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-15(2,3)20-14(19)18-13-9-16(13)7-6-10-8-11(17)4-5-12(10)16/h4-5,8,13H,6-7,9H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate?
tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate has a molecular weight of 338.25 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate is sourced from PubChem (CID 122463460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).