(1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

C11H12BrN — CID 129284661

IUPAC(1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESN[C@H]1CC12CCc1cc(Br)ccc12
InChIInChI=1S/C11H12BrN/c12-8-1-2-9-7(5-8)3-4-11(9)6-10(11)13/h1-2,5,10H,3-4,6,13H2/t10-,11?/m0/s1
InChIKeyHPLZQVPAYLSJEZ-VUWPPUDQSA-N
MW238.13 g/mol
LogP2.36
Rot. Bonds

About (1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

(1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (PubChem CID 129284661) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is (1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name(1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
PubChem CID129284661
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name(1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESN[C@H]1CC12CCc1cc(Br)ccc12
InChIInChI=1S/C11H12BrN/c12-8-1-2-9-7(5-8)3-4-11(9)6-10(11)13/h1-2,5,10H,3-4,6,13H2/t10-,11?/m0/s1
InChIKeyHPLZQVPAYLSJEZ-VUWPPUDQSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The IUPAC name of (1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (CID 129284661) is (1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.
What is the SMILES notation for (1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The canonical SMILES for (1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is N[C@H]1CC12CCc1cc(Br)ccc12.
What is the InChIKey of (1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The InChIKey is HPLZQVPAYLSJEZ-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H12BrN/c12-8-1-2-9-7(5-8)3-4-11(9)6-10(11)13/h1-2,5,10H,3-4,6,13H2/t10-,11?/m0/s1.
What are the key properties of (1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
(1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine has a molecular weight of 238.13 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 129284661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).