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

C14H13BrO2 — CID 58197205

IUPAC6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
SMILESO=C1CCC2(CC1)Cc1ccc(Br)cc1C2=O
InChIInChI=1S/C14H13BrO2/c15-10-2-1-9-8-14(13(17)12(9)7-10)5-3-11(16)4-6-14/h1-2,7H,3-6,8H2
InChIKeyDPXQBNIZPADHOT-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.32
Rot. Bonds

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

6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione (PubChem CID 58197205) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione.

Molecular Properties

Compound Name6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
PubChem CID58197205
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
SMILESO=C1CCC2(CC1)Cc1ccc(Br)cc1C2=O
InChIInChI=1S/C14H13BrO2/c15-10-2-1-9-8-14(13(17)12(9)7-10)5-3-11(16)4-6-14/h1-2,7H,3-6,8H2
InChIKeyDPXQBNIZPADHOT-UHFFFAOYSA-N
XLogP3.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
The IUPAC name of 6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione (CID 58197205) is 6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione.
What is the SMILES notation for 6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
The canonical SMILES for 6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione is O=C1CCC2(CC1)Cc1ccc(Br)cc1C2=O.
What is the InChIKey of 6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
The InChIKey is DPXQBNIZPADHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c15-10-2-1-9-8-14(13(17)12(9)7-10)5-3-11(16)4-6-14/h1-2,7H,3-6,8H2.
What are the key properties of 6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione has a molecular weight of 293.16 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione is sourced from PubChem (CID 58197205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).