(4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol

C15H18BrNO2 — CID 104951108

IUPAC(4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
SMILESO[C@H]1CC2(CCN(C3CC3)C2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H18BrNO2/c16-10-1-4-14-12(7-10)13(18)8-15(19-14)5-6-17(9-15)11-2-3-11/h1,4,7,11,13,18H,2-3,5-6,8-9H2/t13-,15?/m0/s1
InChIKeyMNMYMEIYUGLRBD-CFMCSPIPSA-N
MW324.22 g/mol
LogP2.87
Rot. Bonds1

About (4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol

(4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol (PubChem CID 104951108) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is (4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol.

Molecular Properties

Compound Name(4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
PubChem CID104951108
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name(4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
SMILESO[C@H]1CC2(CCN(C3CC3)C2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H18BrNO2/c16-10-1-4-14-12(7-10)13(18)8-15(19-14)5-6-17(9-15)11-2-3-11/h1,4,7,11,13,18H,2-3,5-6,8-9H2/t13-,15?/m0/s1
InChIKeyMNMYMEIYUGLRBD-CFMCSPIPSA-N
XLogP2.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol with MolForge

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Related Compounds

1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 114714851
1'-cyclopropyl-7-fluorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 114715692
6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715652
7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 114714662
(4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951278
(4R)-6-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951521
(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951385
6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715550
6-bromospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
CID 114715532
(4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946423
6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450779
6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 114715593

Frequently Asked Questions

What is the IUPAC name of (4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
The IUPAC name of (4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol (CID 104951108) is (4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol.
What is the SMILES notation for (4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
The canonical SMILES for (4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol is O[C@H]1CC2(CCN(C3CC3)C2)Oc2ccc(Br)cc21.
What is the InChIKey of (4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
The InChIKey is MNMYMEIYUGLRBD-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H18BrNO2/c16-10-1-4-14-12(7-10)13(18)8-15(19-14)5-6-17(9-15)11-2-3-11/h1,4,7,11,13,18H,2-3,5-6,8-9H2/t13-,15?/m0/s1.
What are the key properties of (4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
(4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol has a molecular weight of 324.22 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol is sourced from PubChem (CID 104951108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).