1-ethyl-4,5,6-trimethyl-2,3-dihydroindole

C13H19N — CID 59131808

IUPAC1-ethyl-4,5,6-trimethyl-2,3-dihydroindole
SMILESCCN1CCc2c1cc(C)c(C)c2C
InChIInChI=1S/C13H19N/c1-5-14-7-6-12-11(4)10(3)9(2)8-13(12)14/h8H,5-7H2,1-4H3
InChIKeyNUYKVJBFCIMSHF-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.99
Rot. Bonds1

About 1-ethyl-4,5,6-trimethyl-2,3-dihydroindole

1-ethyl-4,5,6-trimethyl-2,3-dihydroindole (PubChem CID 59131808) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-ethyl-4,5,6-trimethyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-ethyl-4,5,6-trimethyl-2,3-dihydroindole
PubChem CID59131808
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-ethyl-4,5,6-trimethyl-2,3-dihydroindole
SMILESCCN1CCc2c1cc(C)c(C)c2C
InChIInChI=1S/C13H19N/c1-5-14-7-6-12-11(4)10(3)9(2)8-13(12)14/h8H,5-7H2,1-4H3
InChIKeyNUYKVJBFCIMSHF-UHFFFAOYSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5,6-trimethyl-2,3-dihydroindole?
The IUPAC name of 1-ethyl-4,5,6-trimethyl-2,3-dihydroindole (CID 59131808) is 1-ethyl-4,5,6-trimethyl-2,3-dihydroindole.
What is the SMILES notation for 1-ethyl-4,5,6-trimethyl-2,3-dihydroindole?
The canonical SMILES for 1-ethyl-4,5,6-trimethyl-2,3-dihydroindole is CCN1CCc2c1cc(C)c(C)c2C.
What is the InChIKey of 1-ethyl-4,5,6-trimethyl-2,3-dihydroindole?
The InChIKey is NUYKVJBFCIMSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-5-14-7-6-12-11(4)10(3)9(2)8-13(12)14/h8H,5-7H2,1-4H3.
What are the key properties of 1-ethyl-4,5,6-trimethyl-2,3-dihydroindole?
1-ethyl-4,5,6-trimethyl-2,3-dihydroindole has a molecular weight of 189.30 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5,6-trimethyl-2,3-dihydroindole is sourced from PubChem (CID 59131808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).