7-tert-butyl-5-methyl-2,3-dihydro-1H-indole

C13H19N — CID 75480955

IUPAC7-tert-butyl-5-methyl-2,3-dihydro-1H-indole
SMILESCc1cc2c(c(C(C)(C)C)c1)NCC2
InChIInChI=1S/C13H19N/c1-9-7-10-5-6-14-12(10)11(8-9)13(2,3)4/h7-8,14H,5-6H2,1-4H3
InChIKeyAWKRBOMZYCFJGN-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.26
Rot. Bonds

About 7-tert-butyl-5-methyl-2,3-dihydro-1H-indole

7-tert-butyl-5-methyl-2,3-dihydro-1H-indole (PubChem CID 75480955) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 7-tert-butyl-5-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-tert-butyl-5-methyl-2,3-dihydro-1H-indole
PubChem CID75480955
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name7-tert-butyl-5-methyl-2,3-dihydro-1H-indole
SMILESCc1cc2c(c(C(C)(C)C)c1)NCC2
InChIInChI=1S/C13H19N/c1-9-7-10-5-6-14-12(10)11(8-9)13(2,3)4/h7-8,14H,5-6H2,1-4H3
InChIKeyAWKRBOMZYCFJGN-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 7-tert-butyl-5-methyl-2,3-dihydro-1H-indole (CID 75480955) is 7-tert-butyl-5-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-tert-butyl-5-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 7-tert-butyl-5-methyl-2,3-dihydro-1H-indole is Cc1cc2c(c(C(C)(C)C)c1)NCC2.
What is the InChIKey of 7-tert-butyl-5-methyl-2,3-dihydro-1H-indole?
The InChIKey is AWKRBOMZYCFJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9-7-10-5-6-14-12(10)11(8-9)13(2,3)4/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 7-tert-butyl-5-methyl-2,3-dihydro-1H-indole?
7-tert-butyl-5-methyl-2,3-dihydro-1H-indole has a molecular weight of 189.30 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 75480955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).