3,3-diethyl-1,2-dihydroindole

C12H17N — CID 15153225

IUPAC3,3-diethyl-1,2-dihydroindole
SMILESCCC1(CC)CNc2ccccc21
InChIInChI=1S/C12H17N/c1-3-12(4-2)9-13-11-8-6-5-7-10(11)12/h5-8,13H,3-4,9H2,1-2H3
InChIKeyVSAJILQTDDOIET-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.17
Rot. Bonds2

About 3,3-diethyl-1,2-dihydroindole

3,3-diethyl-1,2-dihydroindole (PubChem CID 15153225) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 3,3-diethyl-1,2-dihydroindole.

Molecular Properties

Compound Name3,3-diethyl-1,2-dihydroindole
PubChem CID15153225
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name3,3-diethyl-1,2-dihydroindole
SMILESCCC1(CC)CNc2ccccc21
InChIInChI=1S/C12H17N/c1-3-12(4-2)9-13-11-8-6-5-7-10(11)12/h5-8,13H,3-4,9H2,1-2H3
InChIKeyVSAJILQTDDOIET-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1,2-dihydroindole?
The IUPAC name of 3,3-diethyl-1,2-dihydroindole (CID 15153225) is 3,3-diethyl-1,2-dihydroindole.
What is the SMILES notation for 3,3-diethyl-1,2-dihydroindole?
The canonical SMILES for 3,3-diethyl-1,2-dihydroindole is CCC1(CC)CNc2ccccc21.
What is the InChIKey of 3,3-diethyl-1,2-dihydroindole?
The InChIKey is VSAJILQTDDOIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-12(4-2)9-13-11-8-6-5-7-10(11)12/h5-8,13H,3-4,9H2,1-2H3.
What are the key properties of 3,3-diethyl-1,2-dihydroindole?
3,3-diethyl-1,2-dihydroindole has a molecular weight of 175.28 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1,2-dihydroindole is sourced from PubChem (CID 15153225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).