2,2,3,5-tetramethyl-1,3-dihydroindole

C12H17N — CID 117193754

IUPAC2,2,3,5-tetramethyl-1,3-dihydroindole
SMILESCc1ccc2c(c1)C(C)C(C)(C)N2
InChIInChI=1S/C12H17N/c1-8-5-6-11-10(7-8)9(2)12(3,4)13-11/h5-7,9,13H,1-4H3
InChIKeyICLGPMOAYPRYRU-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.30
Rot. Bonds

About 2,2,3,5-tetramethyl-1,3-dihydroindole

2,2,3,5-tetramethyl-1,3-dihydroindole (PubChem CID 117193754) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2,2,3,5-tetramethyl-1,3-dihydroindole.

Molecular Properties

Compound Name2,2,3,5-tetramethyl-1,3-dihydroindole
PubChem CID117193754
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2,2,3,5-tetramethyl-1,3-dihydroindole
SMILESCc1ccc2c(c1)C(C)C(C)(C)N2
InChIInChI=1S/C12H17N/c1-8-5-6-11-10(7-8)9(2)12(3,4)13-11/h5-7,9,13H,1-4H3
InChIKeyICLGPMOAYPRYRU-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,5-tetramethyl-1,3-dihydroindole?
The IUPAC name of 2,2,3,5-tetramethyl-1,3-dihydroindole (CID 117193754) is 2,2,3,5-tetramethyl-1,3-dihydroindole.
What is the SMILES notation for 2,2,3,5-tetramethyl-1,3-dihydroindole?
The canonical SMILES for 2,2,3,5-tetramethyl-1,3-dihydroindole is Cc1ccc2c(c1)C(C)C(C)(C)N2.
What is the InChIKey of 2,2,3,5-tetramethyl-1,3-dihydroindole?
The InChIKey is ICLGPMOAYPRYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8-5-6-11-10(7-8)9(2)12(3,4)13-11/h5-7,9,13H,1-4H3.
What are the key properties of 2,2,3,5-tetramethyl-1,3-dihydroindole?
2,2,3,5-tetramethyl-1,3-dihydroindole has a molecular weight of 175.27 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5-tetramethyl-1,3-dihydroindole is sourced from PubChem (CID 117193754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).