6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one

C10H8BrNO — CID 71743438

IUPAC6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2cc(Br)ccc2C12CC2
InChIInChI=1S/C10H8BrNO/c11-6-1-2-7-8(5-6)12-9(13)10(7)3-4-10/h1-2,5H,3-4H2,(H,12,13)
InChIKeyOQBQBDOESUSKEE-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.43
Rot. Bonds

About 6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one

6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 71743438) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID71743438
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2cc(Br)ccc2C12CC2
InChIInChI=1S/C10H8BrNO/c11-6-1-2-7-8(5-6)12-9(13)10(7)3-4-10/h1-2,5H,3-4H2,(H,12,13)
InChIKeyOQBQBDOESUSKEE-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyloxindole
CID 150923
6-bromo-2,3-dihydro-1H-indol-2-one
CID 2773289
5-Bromo-2-oxindole
CID 611193
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
1H-Indole-2,3-dione, 6-bromo-
CID 95716
3-(propan-2-yl)-2,3-dihydro-1H-indol-2-one
CID 4461489
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
3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile
CID 3728994
5-bromo-3,3-dimethyl-2,3-dihydro-1H-indol-2-one
CID 12052796
1',2'-Dihydrospiro[cyclopentane-1,3'-indole]-2'-one
CID 363343
5-bromo-3-(2-fluorobenzyl)-1,3-dihydro-2H-indol-2-one
CID 2994360

Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one (CID 71743438) is 6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2cc(Br)ccc2C12CC2.
What is the InChIKey of 6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is OQBQBDOESUSKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-6-1-2-7-8(5-6)12-9(13)10(7)3-4-10/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one?
6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 238.08 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 71743438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).