(4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine

C13H17BrN2O — CID 104945533

IUPAC(4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCN1CCC2(C[C@@H](N)c3ccc(Br)cc3O2)C1
InChIInChI=1S/C13H17BrN2O/c1-16-5-4-13(8-16)7-11(15)10-3-2-9(14)6-12(10)17-13/h2-3,6,11H,4-5,7-8,15H2,1H3/t11-,13?/m1/s1
InChIKeyYIDJLVVMYVXXOA-JTDNENJMSA-N
MW297.20 g/mol
LogP2.31
Rot. Bonds

About (4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine

(4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (PubChem CID 104945533) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is (4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.

Molecular Properties

Compound Name(4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
PubChem CID104945533
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name(4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCN1CCC2(C[C@@H](N)c3ccc(Br)cc3O2)C1
InChIInChI=1S/C13H17BrN2O/c1-16-5-4-13(8-16)7-11(15)10-3-2-9(14)6-12(10)17-13/h2-3,6,11H,4-5,7-8,15H2,1H3/t11-,13?/m1/s1
InChIKeyYIDJLVVMYVXXOA-JTDNENJMSA-N
XLogP2.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The IUPAC name of (4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (CID 104945533) is (4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.
What is the SMILES notation for (4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The canonical SMILES for (4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is CN1CCC2(C[C@@H](N)c3ccc(Br)cc3O2)C1.
What is the InChIKey of (4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The InChIKey is YIDJLVVMYVXXOA-JTDNENJMSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-16-5-4-13(8-16)7-11(15)10-3-2-9(14)6-12(10)17-13/h2-3,6,11H,4-5,7-8,15H2,1H3/t11-,13?/m1/s1.
What are the key properties of (4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
(4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine has a molecular weight of 297.20 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is sourced from PubChem (CID 104945533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).