5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole

C12H14BrN — CID 106986337

IUPAC5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole
SMILESBrc1ccc2c(c1)C(C1CCC1)CN2
InChIInChI=1S/C12H14BrN/c13-9-4-5-12-10(6-9)11(7-14-12)8-2-1-3-8/h4-6,8,11,14H,1-3,7H2
InChIKeyKAXNFGQUGOWWPE-UHFFFAOYSA-N
MW252.15 g/mol
LogP3.76
Rot. Bonds1

About 5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole

5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole (PubChem CID 106986337) has the molecular formula C12H14BrN and a molecular weight of 252.15 g/mol. Its IUPAC name is 5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole
PubChem CID106986337
Molecular FormulaC12H14BrN
Molecular Weight252.15 g/mol
Exact Mass251.03
IUPAC Name5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole
SMILESBrc1ccc2c(c1)C(C1CCC1)CN2
InChIInChI=1S/C12H14BrN/c13-9-4-5-12-10(6-9)11(7-14-12)8-2-1-3-8/h4-6,8,11,14H,1-3,7H2
InChIKeyKAXNFGQUGOWWPE-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
CID 84700609
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
CID 106985758
8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione
CID 22462483
(3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole
CID 95430883
5-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84706364
(5-bromo-2,3-dihydro-1H-indol-3-yl)methanol
CID 71068546
5-bromo-3-phenyl-2,3-dihydro-1H-indole
CID 177342618
6-bromo-1,2,3,4-tetrahydroquinolin-4-ol
CID 130137755
8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole
CID 82184556
1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine
CID 83866994
(6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine
CID 100962245
7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
CID 70172969

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole (CID 106986337) is 5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole is Brc1ccc2c(c1)C(C1CCC1)CN2.
What is the InChIKey of 5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole?
The InChIKey is KAXNFGQUGOWWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c13-9-4-5-12-10(6-9)11(7-14-12)8-2-1-3-8/h4-6,8,11,14H,1-3,7H2.
What are the key properties of 5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole?
5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole has a molecular weight of 252.15 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).