1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole

C12H19N — CID 167228102

IUPAC1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole
SMILESCCN1CC(C)(C)C2=C1CCC=C2
InChIInChI=1S/C12H19N/c1-4-13-9-12(2,3)10-7-5-6-8-11(10)13/h5,7H,4,6,8-9H2,1-3H3
InChIKeyXTLDRTARXQGHLN-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.95
Rot. Bonds1

About 1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole

1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole (PubChem CID 167228102) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole.

Molecular Properties

Compound Name1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole
PubChem CID167228102
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole
SMILESCCN1CC(C)(C)C2=C1CCC=C2
InChIInChI=1S/C12H19N/c1-4-13-9-12(2,3)10-7-5-6-8-11(10)13/h5,7H,4,6,8-9H2,1-3H3
InChIKeyXTLDRTARXQGHLN-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole?
The IUPAC name of 1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole (CID 167228102) is 1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole.
What is the SMILES notation for 1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole?
The canonical SMILES for 1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole is CCN1CC(C)(C)C2=C1CCC=C2.
What is the InChIKey of 1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole?
The InChIKey is XTLDRTARXQGHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-13-9-12(2,3)10-7-5-6-8-11(10)13/h5,7H,4,6,8-9H2,1-3H3.
What are the key properties of 1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole?
1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole has a molecular weight of 177.29 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-dimethyl-6,7-dihydro-2H-indole is sourced from PubChem (CID 167228102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).