3,3,5-trimethyl-1,2-dihydroindole

C11H15N — CID 15399353

IUPAC3,3,5-trimethyl-1,2-dihydroindole
SMILESCc1ccc2c(c1)C(C)(C)CN2
InChIInChI=1S/C11H15N/c1-8-4-5-10-9(6-8)11(2,3)7-12-10/h4-6,12H,7H2,1-3H3
InChIKeyHMLIEFOXCAUTLD-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.70
Rot. Bonds

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

3,3,5-trimethyl-1,2-dihydroindole (PubChem CID 15399353) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3,3,5-trimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name3,3,5-trimethyl-1,2-dihydroindole
PubChem CID15399353
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3,3,5-trimethyl-1,2-dihydroindole
SMILESCc1ccc2c(c1)C(C)(C)CN2
InChIInChI=1S/C11H15N/c1-8-4-5-10-9(6-8)11(2,3)7-12-10/h4-6,12H,7H2,1-3H3
InChIKeyHMLIEFOXCAUTLD-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1,2-dihydroindole?
The IUPAC name of 3,3,5-trimethyl-1,2-dihydroindole (CID 15399353) is 3,3,5-trimethyl-1,2-dihydroindole.
What is the SMILES notation for 3,3,5-trimethyl-1,2-dihydroindole?
The canonical SMILES for 3,3,5-trimethyl-1,2-dihydroindole is Cc1ccc2c(c1)C(C)(C)CN2.
What is the InChIKey of 3,3,5-trimethyl-1,2-dihydroindole?
The InChIKey is HMLIEFOXCAUTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-4-5-10-9(6-8)11(2,3)7-12-10/h4-6,12H,7H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-1,2-dihydroindole?
3,3,5-trimethyl-1,2-dihydroindole has a molecular weight of 161.25 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1,2-dihydroindole is sourced from PubChem (CID 15399353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).