6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione

C15H15BrO2 — CID 71727953

IUPAC6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
SMILESCC1CC2(CCC1=O)Cc1ccc(Br)cc1C2=O
InChIInChI=1S/C15H15BrO2/c1-9-7-15(5-4-13(9)17)8-10-2-3-11(16)6-12(10)14(15)18/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyAQGVCGBCRKXGOS-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.56
Rot. Bonds

About 6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione

6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione (PubChem CID 71727953) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione.

Molecular Properties

Compound Name6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
PubChem CID71727953
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
SMILESCC1CC2(CCC1=O)Cc1ccc(Br)cc1C2=O
InChIInChI=1S/C15H15BrO2/c1-9-7-15(5-4-13(9)17)8-10-2-3-11(16)6-12(10)14(15)18/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyAQGVCGBCRKXGOS-UHFFFAOYSA-N
XLogP3.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,2'S)-6-bromo-2'-ethylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 121276859
(5-bromo-2',3-dioxospiro[1H-indene-2,5'-cyclohexane]-1'-yl) acetate
CID 123230128
6-bromo-4'-hydroxy-3'-methylspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 78160991
6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 58197205
6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one
CID 58197583
6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 78160893
6'-bromospiro[1,2,5,6,8,9-hexahydrobenzo[7]annulene-7,2'-3H-indene]-1'-one
CID 66584883
(3'S,4'S)-6-bromo-3'-ethyl-4'-hydroxyspiro[3H-indene-2,1'-cyclohexane]-1-one;(3'S,4'S)-6-bromo-3'-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one;(2'S)-6-bromo-2'-ethylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione;methanol
CID 159438283
5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]
CID 118592324
(2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one
CID 86316397
6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one
CID 91546187
5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one
CID 155929540

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
The IUPAC name of 6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione (CID 71727953) is 6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione.
What is the SMILES notation for 6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
The canonical SMILES for 6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione is CC1CC2(CCC1=O)Cc1ccc(Br)cc1C2=O.
What is the InChIKey of 6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
The InChIKey is AQGVCGBCRKXGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-9-7-15(5-4-13(9)17)8-10-2-3-11(16)6-12(10)14(15)18/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione has a molecular weight of 307.19 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2'-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione is sourced from PubChem (CID 71727953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).