7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol

C13H16BrNO2 — CID 114714662

IUPAC7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
SMILESCN1CCC2(CC(O)c3ccc(Br)cc3O2)C1
InChIInChI=1S/C13H16BrNO2/c1-15-5-4-13(8-15)7-11(16)10-3-2-9(14)6-12(10)17-13/h2-3,6,11,16H,4-5,7-8H2,1H3
InChIKeySOPQDJLWLGNMLL-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.34
Rot. Bonds

About 7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol

7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol (PubChem CID 114714662) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol.

Molecular Properties

Compound Name7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
PubChem CID114714662
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
SMILESCN1CCC2(CC(O)c3ccc(Br)cc3O2)C1
InChIInChI=1S/C13H16BrNO2/c1-15-5-4-13(8-15)7-11(16)10-3-2-9(14)6-12(10)17-13/h2-3,6,11,16H,4-5,7-8H2,1H3
InChIKeySOPQDJLWLGNMLL-UHFFFAOYSA-N
XLogP2.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104945533
(4R)-7-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949332
(4S)-7-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949647
(4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol
CID 104951572
7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114714735
(4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104949633
7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
CID 114711803
(4S)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949601
(4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 104951108
(4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 104949352
(4S)-7-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
CID 104949578
7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714791

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
The IUPAC name of 7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol (CID 114714662) is 7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol.
What is the SMILES notation for 7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
The canonical SMILES for 7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol is CN1CCC2(CC(O)c3ccc(Br)cc3O2)C1.
What is the InChIKey of 7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
The InChIKey is SOPQDJLWLGNMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-15-5-4-13(8-15)7-11(16)10-3-2-9(14)6-12(10)17-13/h2-3,6,11,16H,4-5,7-8H2,1H3.
What are the key properties of 7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol has a molecular weight of 298.18 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol is sourced from PubChem (CID 114714662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).