7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride

C11H13BrClN — CID 155820090

IUPAC7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride
SMILESBrc1ccc2c(c1)CNCC21CC1.Cl
InChIInChI=1S/C11H12BrN.ClH/c12-9-1-2-10-8(5-9)6-13-7-11(10)3-4-11;/h1-2,5,13H,3-4,6-7H2;1H
InChIKeyONWPQNIPQYBMRN-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.01
Rot. Bonds

About 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride

7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride (PubChem CID 155820090) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride.

Molecular Properties

Compound Name7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride
PubChem CID155820090
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride
SMILESBrc1ccc2c(c1)CNCC21CC1.Cl
InChIInChI=1S/C11H12BrN.ClH/c12-9-1-2-10-8(5-9)6-13-7-11(10)3-4-11;/h1-2,5,13H,3-4,6-7H2;1H
InChIKeyONWPQNIPQYBMRN-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride?
The IUPAC name of 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride (CID 155820090) is 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride.
What is the SMILES notation for 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride?
The canonical SMILES for 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride is Brc1ccc2c(c1)CNCC21CC1.Cl.
What is the InChIKey of 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride?
The InChIKey is ONWPQNIPQYBMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN.ClH/c12-9-1-2-10-8(5-9)6-13-7-11(10)3-4-11;/h1-2,5,13H,3-4,6-7H2;1H.
What are the key properties of 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride?
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride has a molecular weight of 274.59 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride is sourced from PubChem (CID 155820090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).