5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid

C15H17BrO2 — CID 115057136

IUPAC5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
SMILESO=C(O)C1CCc2c(Br)cccc2C12CCCC2
InChIInChI=1S/C15H17BrO2/c16-13-5-3-4-11-10(13)6-7-12(14(17)18)15(11)8-1-2-9-15/h3-5,12H,1-2,6-9H2,(H,17,18)
InChIKeySBSXLCLWRILTRO-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.91
Rot. Bonds1

About 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid

5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid (PubChem CID 115057136) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid.

Molecular Properties

Compound Name5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
PubChem CID115057136
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Name5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
SMILESO=C(O)C1CCc2c(Br)cccc2C12CCCC2
InChIInChI=1S/C15H17BrO2/c16-13-5-3-4-11-10(13)6-7-12(14(17)18)15(11)8-1-2-9-15/h3-5,12H,1-2,6-9H2,(H,17,18)
InChIKeySBSXLCLWRILTRO-UHFFFAOYSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid
CID 115057106
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057152
5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid
CID 115057144
5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine
CID 115057137
6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057075
8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105469834
2-(5-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
CID 115057405
(1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide
CID 129284856
methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate
CID 102098459
7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 105479978
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
CID 115010849

Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid?
The IUPAC name of 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid (CID 115057136) is 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid.
What is the SMILES notation for 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid?
The canonical SMILES for 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid is O=C(O)C1CCc2c(Br)cccc2C12CCCC2.
What is the InChIKey of 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid?
The InChIKey is SBSXLCLWRILTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2/c16-13-5-3-4-11-10(13)6-7-12(14(17)18)15(11)8-1-2-9-15/h3-5,12H,1-2,6-9H2,(H,17,18).
What are the key properties of 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid?
5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid has a molecular weight of 309.20 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid is sourced from PubChem (CID 115057136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).