3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole

C13H14BrN — CID 82379901

IUPAC3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole
SMILESCc1cc2[nH]c(C3CC3)c(Br)c2cc1C
InChIInChI=1S/C13H14BrN/c1-7-5-10-11(6-8(7)2)15-13(12(10)14)9-3-4-9/h5-6,9,15H,3-4H2,1-2H3
InChIKeyBHPKDCDSMYSLPP-UHFFFAOYSA-N
MW264.17 g/mol
LogP4.42
Rot. Bonds1

About 3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole

3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole (PubChem CID 82379901) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is 3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole.

Molecular Properties

Compound Name3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole
PubChem CID82379901
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC Name3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole
SMILESCc1cc2[nH]c(C3CC3)c(Br)c2cc1C
InChIInChI=1S/C13H14BrN/c1-7-5-10-11(6-8(7)2)15-13(12(10)14)9-3-4-9/h5-6,9,15H,3-4H2,1-2H3
InChIKeyBHPKDCDSMYSLPP-UHFFFAOYSA-N
XLogP4.42
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole?
The IUPAC name of 3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole (CID 82379901) is 3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole.
What is the SMILES notation for 3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole?
The canonical SMILES for 3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole is Cc1cc2[nH]c(C3CC3)c(Br)c2cc1C.
What is the InChIKey of 3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole?
The InChIKey is BHPKDCDSMYSLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN/c1-7-5-10-11(6-8(7)2)15-13(12(10)14)9-3-4-9/h5-6,9,15H,3-4H2,1-2H3.
What are the key properties of 3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole?
3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole has a molecular weight of 264.17 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-cyclopropyl-5,6-dimethyl-1H-indole is sourced from PubChem (CID 82379901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).