5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane

C13H16BrNO — CID 145209276

IUPAC5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane
SMILESCC.O=C1Nc2ccc(Br)cc2C12CCC2
InChIInChI=1S/C11H10BrNO.C2H6/c12-7-2-3-9-8(6-7)11(4-1-5-11)10(14)13-9;1-2/h2-3,6H,1,4-5H2,(H,13,14);1-2H3
InChIKeyZDADZGFTFYHKNA-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.85
Rot. Bonds

About 5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane

5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane (PubChem CID 145209276) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane.

Molecular Properties

Compound Name5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane
PubChem CID145209276
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane
SMILESCC.O=C1Nc2ccc(Br)cc2C12CCC2
InChIInChI=1S/C11H10BrNO.C2H6/c12-7-2-3-9-8(6-7)11(4-1-5-11)10(14)13-9;1-2/h2-3,6H,1,4-5H2,(H,13,14);1-2H3
InChIKeyZDADZGFTFYHKNA-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 84619753
2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride
CID 83853467
5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 82085220
5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one
CID 155565010
4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 106702132
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
CID 1262495
6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 66958239
5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 156760180
(3S)-5-bromo-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
CID 752249
2,2-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)propanamide
CID 110405573
5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 138045616

Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane?
The IUPAC name of 5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane (CID 145209276) is 5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane.
What is the SMILES notation for 5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane?
The canonical SMILES for 5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane is CC.O=C1Nc2ccc(Br)cc2C12CCC2.
What is the InChIKey of 5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane?
The InChIKey is ZDADZGFTFYHKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO.C2H6/c12-7-2-3-9-8(6-7)11(4-1-5-11)10(14)13-9;1-2/h2-3,6H,1,4-5H2,(H,13,14);1-2H3.
What are the key properties of 5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane?
5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane has a molecular weight of 282.18 g/mol, XLogP of 3.85, 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'-cyclobutane]-2-one;ethane is sourced from PubChem (CID 145209276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).