7-chloro-2-cyclobutyl-1H-indole

C12H12ClN — CID 84673778

IUPAC7-chloro-2-cyclobutyl-1H-indole
SMILESClc1cccc2cc(C3CCC3)[nH]c12
InChIInChI=1S/C12H12ClN/c13-10-6-2-5-9-7-11(14-12(9)10)8-3-1-4-8/h2,5-8,14H,1,3-4H2
InChIKeyMFQYZLZHLMCMOE-UHFFFAOYSA-N
MW205.69 g/mol
LogP4.09
Rot. Bonds1

About 7-chloro-2-cyclobutyl-1H-indole

7-chloro-2-cyclobutyl-1H-indole (PubChem CID 84673778) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 7-chloro-2-cyclobutyl-1H-indole.

Molecular Properties

Compound Name7-chloro-2-cyclobutyl-1H-indole
PubChem CID84673778
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name7-chloro-2-cyclobutyl-1H-indole
SMILESClc1cccc2cc(C3CCC3)[nH]c12
InChIInChI=1S/C12H12ClN/c13-10-6-2-5-9-7-11(14-12(9)10)8-3-1-4-8/h2,5-8,14H,1,3-4H2
InChIKeyMFQYZLZHLMCMOE-UHFFFAOYSA-N
XLogP4.09
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-cyclobutyl-1H-indole?
The IUPAC name of 7-chloro-2-cyclobutyl-1H-indole (CID 84673778) is 7-chloro-2-cyclobutyl-1H-indole.
What is the SMILES notation for 7-chloro-2-cyclobutyl-1H-indole?
The canonical SMILES for 7-chloro-2-cyclobutyl-1H-indole is Clc1cccc2cc(C3CCC3)[nH]c12.
What is the InChIKey of 7-chloro-2-cyclobutyl-1H-indole?
The InChIKey is MFQYZLZHLMCMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN/c13-10-6-2-5-9-7-11(14-12(9)10)8-3-1-4-8/h2,5-8,14H,1,3-4H2.
What are the key properties of 7-chloro-2-cyclobutyl-1H-indole?
7-chloro-2-cyclobutyl-1H-indole has a molecular weight of 205.69 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-cyclobutyl-1H-indole is sourced from PubChem (CID 84673778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).