4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine

C11H12BrN — CID 82277978

IUPAC4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine
SMILESNC1c2cccc(Br)c2CC12CC2
InChIInChI=1S/C11H12BrN/c12-9-3-1-2-7-8(9)6-11(4-5-11)10(7)13/h1-3,10H,4-6,13H2
InChIKeyQNNHEHDQMFFLML-UHFFFAOYSA-N
MW238.13 g/mol
LogP2.79
Rot. Bonds

About 4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine

4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine (PubChem CID 82277978) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine.

Molecular Properties

Compound Name4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine
PubChem CID82277978
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine
SMILESNC1c2cccc(Br)c2CC12CC2
InChIInChI=1S/C11H12BrN/c12-9-3-1-2-7-8(9)6-11(4-5-11)10(7)13/h1-3,10H,4-6,13H2
InChIKeyQNNHEHDQMFFLML-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine?
The IUPAC name of 4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine (CID 82277978) is 4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine.
What is the SMILES notation for 4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine?
The canonical SMILES for 4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine is NC1c2cccc(Br)c2CC12CC2.
What is the InChIKey of 4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine?
The InChIKey is QNNHEHDQMFFLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c12-9-3-1-2-7-8(9)6-11(4-5-11)10(7)13/h1-3,10H,4-6,13H2.
What are the key properties of 4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine?
4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine has a molecular weight of 238.13 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine is sourced from PubChem (CID 82277978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).