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

C11H16ClN — CID 169448943

IUPAC3,3,5-trimethyl-1,2-dihydroindole;hydrochloride
SMILESCc1ccc2c(c1)C(C)(C)CN2.Cl
InChIInChI=1S/C11H15N.ClH/c1-8-4-5-10-9(6-8)11(2,3)7-12-10;/h4-6,12H,7H2,1-3H3;1H
InChIKeyFJNNEOXNCBGXGP-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.12
Rot. Bonds

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

3,3,5-trimethyl-1,2-dihydroindole;hydrochloride (PubChem CID 169448943) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 3,3,5-trimethyl-1,2-dihydroindole;hydrochloride.

Molecular Properties

Compound Name3,3,5-trimethyl-1,2-dihydroindole;hydrochloride
PubChem CID169448943
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name3,3,5-trimethyl-1,2-dihydroindole;hydrochloride
SMILESCc1ccc2c(c1)C(C)(C)CN2.Cl
InChIInChI=1S/C11H15N.ClH/c1-8-4-5-10-9(6-8)11(2,3)7-12-10;/h4-6,12H,7H2,1-3H3;1H
InChIKeyFJNNEOXNCBGXGP-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.12
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;hydrochloride?
The IUPAC name of 3,3,5-trimethyl-1,2-dihydroindole;hydrochloride (CID 169448943) is 3,3,5-trimethyl-1,2-dihydroindole;hydrochloride.
What is the SMILES notation for 3,3,5-trimethyl-1,2-dihydroindole;hydrochloride?
The canonical SMILES for 3,3,5-trimethyl-1,2-dihydroindole;hydrochloride is Cc1ccc2c(c1)C(C)(C)CN2.Cl.
What is the InChIKey of 3,3,5-trimethyl-1,2-dihydroindole;hydrochloride?
The InChIKey is FJNNEOXNCBGXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-8-4-5-10-9(6-8)11(2,3)7-12-10;/h4-6,12H,7H2,1-3H3;1H.
What are the key properties of 3,3,5-trimethyl-1,2-dihydroindole;hydrochloride?
3,3,5-trimethyl-1,2-dihydroindole;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 3.12, 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;hydrochloride is sourced from PubChem (CID 169448943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).