5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]

C12H14BrN — CID 46942192

IUPAC5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]
SMILESBrc1ccc2c(c1)C1(CCCN1)CC2
InChIInChI=1S/C12H14BrN/c13-10-3-2-9-4-6-12(11(9)8-10)5-1-7-14-12/h2-3,8,14H,1,4-7H2
InChIKeyCZJDTQVZRCZNOG-UHFFFAOYSA-N
MW252.15 g/mol
LogP2.97
Rot. Bonds

About 5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]

5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine] (PubChem CID 46942192) has the molecular formula C12H14BrN and a molecular weight of 252.15 g/mol. Its IUPAC name is 5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine].

Molecular Properties

Compound Name5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]
PubChem CID46942192
Molecular FormulaC12H14BrN
Molecular Weight252.15 g/mol
Exact Mass251.03
IUPAC Name5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]
SMILESBrc1ccc2c(c1)C1(CCCN1)CC2
InChIInChI=1S/C12H14BrN/c13-10-3-2-9-4-6-12(11(9)8-10)5-1-7-14-12/h2-3,8,14H,1,4-7H2
InChIKeyCZJDTQVZRCZNOG-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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-dihydroindene-3,2'-pyrrolidine]?
The IUPAC name of 5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine] (CID 46942192) is 5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine].
What is the SMILES notation for 5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]?
The canonical SMILES for 5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine] is Brc1ccc2c(c1)C1(CCCN1)CC2.
What is the InChIKey of 5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]?
The InChIKey is CZJDTQVZRCZNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c13-10-3-2-9-4-6-12(11(9)8-10)5-1-7-14-12/h2-3,8,14H,1,4-7H2.
What are the key properties of 5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]?
5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine] has a molecular weight of 252.15 g/mol, XLogP of 2.97, 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-dihydroindene-3,2'-pyrrolidine] is sourced from PubChem (CID 46942192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).