3-ethyl-1,5-dimethyl-3a,7a-dihydroindole

C12H17N — CID 155198629

IUPAC3-ethyl-1,5-dimethyl-3a,7a-dihydroindole
SMILESCCC1=CN(C)C2C=CC(C)=CC12
InChIInChI=1S/C12H17N/c1-4-10-8-13(3)12-6-5-9(2)7-11(10)12/h5-8,11-12H,4H2,1-3H3
InChIKeyHITPDFPQGDLBLX-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.73
Rot. Bonds1

About 3-ethyl-1,5-dimethyl-3a,7a-dihydroindole

3-ethyl-1,5-dimethyl-3a,7a-dihydroindole (PubChem CID 155198629) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-ethyl-1,5-dimethyl-3a,7a-dihydroindole.

Molecular Properties

Compound Name3-ethyl-1,5-dimethyl-3a,7a-dihydroindole
PubChem CID155198629
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name3-ethyl-1,5-dimethyl-3a,7a-dihydroindole
SMILESCCC1=CN(C)C2C=CC(C)=CC12
InChIInChI=1S/C12H17N/c1-4-10-8-13(3)12-6-5-9(2)7-11(10)12/h5-8,11-12H,4H2,1-3H3
InChIKeyHITPDFPQGDLBLX-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,5-dimethyl-3a,7a-dihydroindole?
The IUPAC name of 3-ethyl-1,5-dimethyl-3a,7a-dihydroindole (CID 155198629) is 3-ethyl-1,5-dimethyl-3a,7a-dihydroindole.
What is the SMILES notation for 3-ethyl-1,5-dimethyl-3a,7a-dihydroindole?
The canonical SMILES for 3-ethyl-1,5-dimethyl-3a,7a-dihydroindole is CCC1=CN(C)C2C=CC(C)=CC12.
What is the InChIKey of 3-ethyl-1,5-dimethyl-3a,7a-dihydroindole?
The InChIKey is HITPDFPQGDLBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-4-10-8-13(3)12-6-5-9(2)7-11(10)12/h5-8,11-12H,4H2,1-3H3.
What are the key properties of 3-ethyl-1,5-dimethyl-3a,7a-dihydroindole?
3-ethyl-1,5-dimethyl-3a,7a-dihydroindole has a molecular weight of 175.27 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,5-dimethyl-3a,7a-dihydroindole is sourced from PubChem (CID 155198629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).