7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]

C12H14BrN — CID 170905092

IUPAC7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESCc1cc(Br)cc2c1C1(CC1)CNC2
InChIInChI=1S/C12H14BrN/c1-8-4-10(13)5-9-6-14-7-12(2-3-12)11(8)9/h4-5,14H,2-3,6-7H2,1H3
InChIKeyWZRVOKGUSLLNNI-UHFFFAOYSA-N
MW252.15 g/mol
LogP2.89
Rot. Bonds

About 7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]

7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (PubChem CID 170905092) has the molecular formula C12H14BrN and a molecular weight of 252.15 g/mol. Its IUPAC name is 7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].

Molecular Properties

Compound Name7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
PubChem CID170905092
Molecular FormulaC12H14BrN
Molecular Weight252.15 g/mol
Exact Mass251.03
IUPAC Name7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESCc1cc(Br)cc2c1C1(CC1)CNC2
InChIInChI=1S/C12H14BrN/c1-8-4-10(13)5-9-6-14-7-12(2-3-12)11(8)9/h4-5,14H,2-3,6-7H2,1H3
InChIKeyWZRVOKGUSLLNNI-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The IUPAC name of 7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (CID 170905092) is 7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].
What is the SMILES notation for 7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The canonical SMILES for 7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] is Cc1cc(Br)cc2c1C1(CC1)CNC2.
What is the InChIKey of 7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The InChIKey is WZRVOKGUSLLNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c1-8-4-10(13)5-9-6-14-7-12(2-3-12)11(8)9/h4-5,14H,2-3,6-7H2,1H3.
What are the key properties of 7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] has a molecular weight of 252.15 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] is sourced from PubChem (CID 170905092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).