6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one

C12H15BrN2O — CID 163646486

IUPAC6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one
SMILESO=C1NC2C=CC(Br)=CN2C12CCCCC2
InChIInChI=1S/C12H15BrN2O/c13-9-4-5-10-14-11(16)12(15(10)8-9)6-2-1-3-7-12/h4-5,8,10H,1-3,6-7H2,(H,14,16)
InChIKeyIIQNWJPKDHJOER-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.25
Rot. Bonds

About 6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one

6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one (PubChem CID 163646486) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one
PubChem CID163646486
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one
SMILESO=C1NC2C=CC(Br)=CN2C12CCCCC2
InChIInChI=1S/C12H15BrN2O/c13-9-4-5-10-14-11(16)12(15(10)8-9)6-2-1-3-7-12/h4-5,8,10H,1-3,6-7H2,(H,14,16)
InChIKeyIIQNWJPKDHJOER-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64875303
1-(4-methoxybutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 116500048
1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874120
8-cyclohexyl-6-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885846
3-tert-butyl-1-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64903246
6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 154659640
6,8-di(propan-2-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64874595
1,3-dipropyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64872406
1-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64872407
1-cyclopentyl-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 82924283
1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107898199
6-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 80697288

Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one?
The IUPAC name of 6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one (CID 163646486) is 6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one?
The canonical SMILES for 6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one is O=C1NC2C=CC(Br)=CN2C12CCCCC2.
What is the InChIKey of 6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one?
The InChIKey is IIQNWJPKDHJOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-9-4-5-10-14-11(16)12(15(10)8-9)6-2-1-3-7-12/h4-5,8,10H,1-3,6-7H2,(H,14,16).
What are the key properties of 6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one?
6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one has a molecular weight of 283.17 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 163646486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).