(4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]

C13H16BrN — CID 129384980

IUPAC(4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
SMILESBrc1ccc2c(c1)CCC[C@@]21CCNC1
InChIInChI=1S/C13H16BrN/c14-11-3-4-12-10(8-11)2-1-5-13(12)6-7-15-9-13/h3-4,8,15H,1-2,5-7,9H2/t13-/m0/s1
InChIKeyXRCIFPDTOODVPE-ZDUSSCGKSA-N
MW266.18 g/mol
LogP3.02
Rot. Bonds

About (4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]

(4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] (PubChem CID 129384980) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is (4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine].

Molecular Properties

Compound Name(4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
PubChem CID129384980
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name(4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
SMILESBrc1ccc2c(c1)CCC[C@@]21CCNC1
InChIInChI=1S/C13H16BrN/c14-11-3-4-12-10(8-11)2-1-5-13(12)6-7-15-9-13/h3-4,8,15H,1-2,5-7,9H2/t13-/m0/s1
InChIKeyXRCIFPDTOODVPE-ZDUSSCGKSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 11242950
spiro[7,8-dihydro-6H-naphthalene-5,3'-pyrrolidine]-2-ol;hydrobromide
CID 12630010
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
CID 71304013
(4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 92849621
(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 86311934
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride
CID 155820090
7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 82625303
5-bromospiro[1,2-dihydroindene-3,4'-piperidine]
CID 83671316
6-bromospiro[1,2-dihydroindene-3,1'-cyclopropane];ethane
CID 145339117
6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 82625302
5-bromospiro[1,2-dihydroindene-3,3'-azetidine]
CID 84629055
6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 115049494

Frequently Asked Questions

What is the IUPAC name of (4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
The IUPAC name of (4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] (CID 129384980) is (4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine].
What is the SMILES notation for (4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
The canonical SMILES for (4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] is Brc1ccc2c(c1)CCC[C@@]21CCNC1.
What is the InChIKey of (4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
The InChIKey is XRCIFPDTOODVPE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16BrN/c14-11-3-4-12-10(8-11)2-1-5-13(12)6-7-15-9-13/h3-4,8,15H,1-2,5-7,9H2/t13-/m0/s1.
What are the key properties of (4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
(4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] has a molecular weight of 266.18 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] is sourced from PubChem (CID 129384980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).