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

C15H17BrO2 — CID 115057075

IUPAC6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
SMILESO=C(O)C1CCc2cc(Br)ccc2C12CCCC2
InChIInChI=1S/C15H17BrO2/c16-11-4-6-12-10(9-11)3-5-13(14(17)18)15(12)7-1-2-8-15/h4,6,9,13H,1-3,5,7-8H2,(H,17,18)
InChIKeyCMZGGCZNFGKZRJ-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.91
Rot. Bonds1

About 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid

6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid (PubChem CID 115057075) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid.

Molecular Properties

Compound Name6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
PubChem CID115057075
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Name6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
SMILESO=C(O)C1CCc2cc(Br)ccc2C12CCCC2
InChIInChI=1S/C15H17BrO2/c16-11-4-6-12-10(9-11)3-5-13(14(17)18)15(12)7-1-2-8-15/h4,6,9,13H,1-3,5,7-8H2,(H,17,18)
InChIKeyCMZGGCZNFGKZRJ-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

6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine
CID 115057072
5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057136
(6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine
CID 115057341
7-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-ol
CID 115010781
(1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid
CID 118956982
tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate
CID 122463460
6-bromo-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84729994
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057152
(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
5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid
CID 115057106
[(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol
CID 124572310

Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid?
The IUPAC name of 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid (CID 115057075) is 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid.
What is the SMILES notation for 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid?
The canonical SMILES for 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid is O=C(O)C1CCc2cc(Br)ccc2C12CCCC2.
What is the InChIKey of 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid?
The InChIKey is CMZGGCZNFGKZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2/c16-11-4-6-12-10(9-11)3-5-13(14(17)18)15(12)7-1-2-8-15/h4,6,9,13H,1-3,5,7-8H2,(H,17,18).
What are the key properties of 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid?
6-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 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid is sourced from PubChem (CID 115057075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).