6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]

C14H17Br — CID 167091801

IUPAC6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]
SMILESCC(C)C1CC12CCc1cc(Br)ccc12
InChIInChI=1S/C14H17Br/c1-9(2)13-8-14(13)6-5-10-7-11(15)3-4-12(10)14/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyADANXBCKHQJYNV-UHFFFAOYSA-N
MW265.19 g/mol
LogP4.31
Rot. Bonds1

About 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]

6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane] (PubChem CID 167091801) has the molecular formula C14H17Br and a molecular weight of 265.19 g/mol. Its IUPAC name is 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane].

Molecular Properties

Compound Name6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]
PubChem CID167091801
Molecular FormulaC14H17Br
Molecular Weight265.19 g/mol
Exact Mass264.05
IUPAC Name6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]
SMILESCC(C)C1CC12CCc1cc(Br)ccc12
InChIInChI=1S/C14H17Br/c1-9(2)13-8-14(13)6-5-10-7-11(15)3-4-12(10)14/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyADANXBCKHQJYNV-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane] with MolForge

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Related Compounds

(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
[(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol
CID 124572310
6-bromospiro[1,2-dihydroindene-3,1'-cyclopropane];ethane
CID 145339117
7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene
CID 175335793
6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine
CID 115057072
tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate
CID 122463460
ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate
CID 105360270
(6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine
CID 115057341
5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene
CID 169145643
6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057075
1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide
CID 136539967

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]?
The IUPAC name of 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane] (CID 167091801) is 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane].
What is the SMILES notation for 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]?
The canonical SMILES for 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane] is CC(C)C1CC12CCc1cc(Br)ccc12.
What is the InChIKey of 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]?
The InChIKey is ADANXBCKHQJYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br/c1-9(2)13-8-14(13)6-5-10-7-11(15)3-4-12(10)14/h3-4,7,9,13H,5-6,8H2,1-2H3.
What are the key properties of 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]?
6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane] has a molecular weight of 265.19 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane] is sourced from PubChem (CID 167091801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).