1-tert-butyl-2,3,3-trimethyl-2H-indole

C15H23N — CID 162296328

IUPAC1-tert-butyl-2,3,3-trimethyl-2H-indole
SMILESCC1N(C(C)(C)C)c2ccccc2C1(C)C
InChIInChI=1S/C15H23N/c1-11-15(5,6)12-9-7-8-10-13(12)16(11)14(2,3)4/h7-11H,1-6H3
InChIKeyMURSMOBTXUEFHZ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.97
Rot. Bonds

About 1-tert-butyl-2,3,3-trimethyl-2H-indole

1-tert-butyl-2,3,3-trimethyl-2H-indole (PubChem CID 162296328) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-tert-butyl-2,3,3-trimethyl-2H-indole.

Molecular Properties

Compound Name1-tert-butyl-2,3,3-trimethyl-2H-indole
PubChem CID162296328
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-tert-butyl-2,3,3-trimethyl-2H-indole
SMILESCC1N(C(C)(C)C)c2ccccc2C1(C)C
InChIInChI=1S/C15H23N/c1-11-15(5,6)12-9-7-8-10-13(12)16(11)14(2,3)4/h7-11H,1-6H3
InChIKeyMURSMOBTXUEFHZ-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3,3-trimethyl-2H-indole?
The IUPAC name of 1-tert-butyl-2,3,3-trimethyl-2H-indole (CID 162296328) is 1-tert-butyl-2,3,3-trimethyl-2H-indole.
What is the SMILES notation for 1-tert-butyl-2,3,3-trimethyl-2H-indole?
The canonical SMILES for 1-tert-butyl-2,3,3-trimethyl-2H-indole is CC1N(C(C)(C)C)c2ccccc2C1(C)C.
What is the InChIKey of 1-tert-butyl-2,3,3-trimethyl-2H-indole?
The InChIKey is MURSMOBTXUEFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11-15(5,6)12-9-7-8-10-13(12)16(11)14(2,3)4/h7-11H,1-6H3.
What are the key properties of 1-tert-butyl-2,3,3-trimethyl-2H-indole?
1-tert-butyl-2,3,3-trimethyl-2H-indole has a molecular weight of 217.36 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3,3-trimethyl-2H-indole is sourced from PubChem (CID 162296328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).