5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one

C12H12BrNO — CID 12044973

IUPAC5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one
SMILESO=C1Nc2ccc(Br)cc2C12CCCC2
InChIInChI=1S/C12H12BrNO/c13-8-3-4-10-9(7-8)12(11(15)14-10)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyDSJAYULUMZHCII-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.21
Rot. Bonds

About 5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one

5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one (PubChem CID 12044973) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one
PubChem CID12044973
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one
SMILESO=C1Nc2ccc(Br)cc2C12CCCC2
InChIInChI=1S/C12H12BrNO/c13-8-3-4-10-9(7-8)12(11(15)14-10)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyDSJAYULUMZHCII-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Bromoisatin
CID 6889
3-Methyloxindole
CID 150923
6-bromo-2,3-dihydro-1H-indol-2-one
CID 2773289
3-(4-Bromo-phenylimino)-1,3-dihydro-indol-2-one
CID 135411933
5-Bromo-2-oxindole
CID 611193
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
3-(propan-2-yl)-2,3-dihydro-1H-indol-2-one
CID 4461489
5-Bromo-3-(4-methylanilino)indol-2-one
CID 135400371
(3Z)-3-[(4-bromo-2-methylphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135497759
3,3-diethyl-2,3-dihydro-1H-indol-2-one
CID 15153221
5'-Bromo-2-butyl-spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956438
5-bromo-3,3-dimethyl-2,3-dihydro-1H-indol-2-one
CID 12052796

Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one?
The IUPAC name of 5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one (CID 12044973) is 5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one?
The canonical SMILES for 5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one is O=C1Nc2ccc(Br)cc2C12CCCC2.
What is the InChIKey of 5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one?
The InChIKey is DSJAYULUMZHCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c13-8-3-4-10-9(7-8)12(11(15)14-10)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15).
What are the key properties of 5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one?
5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one has a molecular weight of 266.14 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 12044973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).