3-(cyclohexen-1-yl)-4-ethyl-1H-indole

C16H19N — CID 156796506

IUPAC3-(cyclohexen-1-yl)-4-ethyl-1H-indole
SMILESCCc1cccc2[nH]cc(C3=CCCCC3)c12
InChIInChI=1S/C16H19N/c1-2-12-9-6-10-15-16(12)14(11-17-15)13-7-4-3-5-8-13/h6-7,9-11,17H,2-5,8H2,1H3
InChIKeyHYJGEHYOCOHYRF-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.69
Rot. Bonds2

About 3-(cyclohexen-1-yl)-4-ethyl-1H-indole

3-(cyclohexen-1-yl)-4-ethyl-1H-indole (PubChem CID 156796506) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-4-ethyl-1H-indole.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-4-ethyl-1H-indole
PubChem CID156796506
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name3-(cyclohexen-1-yl)-4-ethyl-1H-indole
SMILESCCc1cccc2[nH]cc(C3=CCCCC3)c12
InChIInChI=1S/C16H19N/c1-2-12-9-6-10-15-16(12)14(11-17-15)13-7-4-3-5-8-13/h6-7,9-11,17H,2-5,8H2,1H3
InChIKeyHYJGEHYOCOHYRF-UHFFFAOYSA-N
XLogP4.69
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-4-ethyl-1H-indole?
The IUPAC name of 3-(cyclohexen-1-yl)-4-ethyl-1H-indole (CID 156796506) is 3-(cyclohexen-1-yl)-4-ethyl-1H-indole.
What is the SMILES notation for 3-(cyclohexen-1-yl)-4-ethyl-1H-indole?
The canonical SMILES for 3-(cyclohexen-1-yl)-4-ethyl-1H-indole is CCc1cccc2[nH]cc(C3=CCCCC3)c12.
What is the InChIKey of 3-(cyclohexen-1-yl)-4-ethyl-1H-indole?
The InChIKey is HYJGEHYOCOHYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-2-12-9-6-10-15-16(12)14(11-17-15)13-7-4-3-5-8-13/h6-7,9-11,17H,2-5,8H2,1H3.
What are the key properties of 3-(cyclohexen-1-yl)-4-ethyl-1H-indole?
3-(cyclohexen-1-yl)-4-ethyl-1H-indole has a molecular weight of 225.33 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-4-ethyl-1H-indole is sourced from PubChem (CID 156796506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).