5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane]

C12H14BrN — CID 54593900

IUPAC5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane]
SMILESBrc1ccc2c(c1)C1(CCCC1)CN2
InChIInChI=1S/C12H14BrN/c13-9-3-4-11-10(7-9)12(8-14-11)5-1-2-6-12/h3-4,7,14H,1-2,5-6,8H2
InChIKeyXAIVBUKCMJRNHM-UHFFFAOYSA-N
MW252.15 g/mol
LogP3.69
Rot. Bonds

About 5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane]

5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane] (PubChem CID 54593900) has the molecular formula C12H14BrN and a molecular weight of 252.15 g/mol. Its IUPAC name is 5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane].

Molecular Properties

Compound Name5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane]
PubChem CID54593900
Molecular FormulaC12H14BrN
Molecular Weight252.15 g/mol
Exact Mass251.03
IUPAC Name5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane]
SMILESBrc1ccc2c(c1)C1(CCCC1)CN2
InChIInChI=1S/C12H14BrN/c13-9-3-4-11-10(7-9)12(8-14-11)5-1-2-6-12/h3-4,7,14H,1-2,5-6,8H2
InChIKeyXAIVBUKCMJRNHM-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane]?
The IUPAC name of 5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane] (CID 54593900) is 5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane].
What is the SMILES notation for 5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane]?
The canonical SMILES for 5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane] is Brc1ccc2c(c1)C1(CCCC1)CN2.
What is the InChIKey of 5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane]?
The InChIKey is XAIVBUKCMJRNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c13-9-3-4-11-10(7-9)12(8-14-11)5-1-2-6-12/h3-4,7,14H,1-2,5-6,8H2.
What are the key properties of 5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane]?
5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane] has a molecular weight of 252.15 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane] is sourced from PubChem (CID 54593900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).