7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]

C11H12BrN — CID 106701793

IUPAC7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
SMILESCC1CC12CNc1c(Br)cccc12
InChIInChI=1S/C11H12BrN/c1-7-5-11(7)6-13-10-8(11)3-2-4-9(10)12/h2-4,7,13H,5-6H2,1H3
InChIKeyQYUQEDSSBZHMJD-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.15
Rot. Bonds

About 7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]

7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane] (PubChem CID 106701793) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane].

Molecular Properties

Compound Name7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
PubChem CID106701793
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
SMILESCC1CC12CNc1c(Br)cccc12
InChIInChI=1S/C11H12BrN/c1-7-5-11(7)6-13-10-8(11)3-2-4-9(10)12/h2-4,7,13H,5-6H2,1H3
InChIKeyQYUQEDSSBZHMJD-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701783
7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701792
9-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1-benzazepine
CID 84729224
5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 84804165
7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 91272402
8-bromo-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
CID 133054201
5-tert-butyl-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701782
8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline
CID 84728812
2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 167309537
1-(2-bromophenyl)-3-azabicyclo[3.1.1]heptane
CID 84804230
6-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 115098315
6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole
CID 146510775

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]?
The IUPAC name of 7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane] (CID 106701793) is 7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane].
What is the SMILES notation for 7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]?
The canonical SMILES for 7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane] is CC1CC12CNc1c(Br)cccc12.
What is the InChIKey of 7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]?
The InChIKey is QYUQEDSSBZHMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-7-5-11(7)6-13-10-8(11)3-2-4-9(10)12/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]?
7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane] has a molecular weight of 238.13 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane] is sourced from PubChem (CID 106701793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).