5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane

C16H21BrO — CID 145243856

IUPAC5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane
SMILESCC.O=C1CCC2(CCCC2)c2c(Br)cccc21
InChIInChI=1S/C14H15BrO.C2H6/c15-11-5-3-4-10-12(16)6-9-14(13(10)11)7-1-2-8-14;1-2/h3-5H,1-2,6-9H2;1-2H3
InChIKeySOVBWKRYEQZYHO-UHFFFAOYSA-N
MW309.25 g/mol
LogP5.26
Rot. Bonds

About 5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane

5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane (PubChem CID 145243856) has the molecular formula C16H21BrO and a molecular weight of 309.25 g/mol. Its IUPAC name is 5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane.

Molecular Properties

Compound Name5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane
PubChem CID145243856
Molecular FormulaC16H21BrO
Molecular Weight309.25 g/mol
Exact Mass308.08
IUPAC Name5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane
SMILESCC.O=C1CCC2(CCCC2)c2c(Br)cccc21
InChIInChI=1S/C14H15BrO.C2H6/c15-11-5-3-4-10-12(16)6-9-14(13(10)11)7-1-2-8-14;1-2/h3-5H,1-2,6-9H2;1-2H3
InChIKeySOVBWKRYEQZYHO-UHFFFAOYSA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.25
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one
CID 54322685
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CID 67224324
4-bromo-2,3-dihydroinden-1-one;methanamine
CID 174616015
1-(2-bromo-6-methylphenyl)cyclohexan-1-ol
CID 117104241
4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]
CID 123186301
4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one
CID 84715163
9-bromo-3,4-dihydro-2H-1-benzoxepin-5-one
CID 43153232
(4E)-4-ethylidenespiro[4.5]decan-3-one
CID 14969052
1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carbonitrile
CID 154210806
8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one
CID 167718869
5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456345
4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one
CID 58295744

Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane?
The IUPAC name of 5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane (CID 145243856) is 5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane.
What is the SMILES notation for 5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane?
The canonical SMILES for 5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane is CC.O=C1CCC2(CCCC2)c2c(Br)cccc21.
What is the InChIKey of 5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane?
The InChIKey is SOVBWKRYEQZYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO.C2H6/c15-11-5-3-4-10-12(16)6-9-14(13(10)11)7-1-2-8-14;1-2/h3-5H,1-2,6-9H2;1-2H3.
What are the key properties of 5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane?
5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane has a molecular weight of 309.25 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane is sourced from PubChem (CID 145243856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).