8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]

C11H12BrN — CID 115042448

IUPAC8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
SMILESBrc1cccc2c1C1(CC1)NCC2
InChIInChI=1S/C11H12BrN/c12-9-3-1-2-8-4-7-13-11(5-6-11)10(8)9/h1-3,13H,4-7H2
InChIKeyHDEBKHNMZYSQEA-UHFFFAOYSA-N
MW238.13 g/mol
LogP2.58
Rot. Bonds

About 8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]

8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] (PubChem CID 115042448) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane].

Molecular Properties

Compound Name8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
PubChem CID115042448
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
SMILESBrc1cccc2c1C1(CC1)NCC2
InChIInChI=1S/C11H12BrN/c12-9-3-1-2-8-4-7-13-11(5-6-11)10(8)9/h1-3,13H,4-7H2
InChIKeyHDEBKHNMZYSQEA-UHFFFAOYSA-N
XLogP2.58
TPSA12.03 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] with MolForge

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Related Compounds

(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]-4-ol
CID 175046084
spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
CID 91557907
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]
CID 115018593
spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol
CID 115012660
(8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 84729237
diphenyl-[(3S)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]-4-yl]phosphane
CID 150467186
1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 67224173
8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol
CID 115010739
9-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1-benzazepine
CID 84729224
6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
CID 117273958
(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 96851281

Frequently Asked Questions

What is the IUPAC name of 8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]?
The IUPAC name of 8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] (CID 115042448) is 8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane].
What is the SMILES notation for 8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]?
The canonical SMILES for 8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] is Brc1cccc2c1C1(CC1)NCC2.
What is the InChIKey of 8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]?
The InChIKey is HDEBKHNMZYSQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c12-9-3-1-2-8-4-7-13-11(5-6-11)10(8)9/h1-3,13H,4-7H2.
What are the key properties of 8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]?
8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] has a molecular weight of 238.13 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] is sourced from PubChem (CID 115042448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).