2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole

C16H19N — CID 142893753

IUPAC2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole
SMILESCCC1C(C2C=CC=CC2)=NC2=CC=CCC21
InChIInChI=1S/C16H19N/c1-2-13-14-10-6-7-11-15(14)17-16(13)12-8-4-3-5-9-12/h3-8,11-14H,2,9-10H2,1H3
InChIKeyWBFBYSNVHJAUIS-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.06
Rot. Bonds2

About 2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole

2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole (PubChem CID 142893753) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole
PubChem CID142893753
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole
SMILESCCC1C(C2C=CC=CC2)=NC2=CC=CCC21
InChIInChI=1S/C16H19N/c1-2-13-14-10-6-7-11-15(14)17-16(13)12-8-4-3-5-9-12/h3-8,11-14H,2,9-10H2,1H3
InChIKeyWBFBYSNVHJAUIS-UHFFFAOYSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole (CID 142893753) is 2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole is CCC1C(C2C=CC=CC2)=NC2=CC=CCC21.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole?
The InChIKey is WBFBYSNVHJAUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-2-13-14-10-6-7-11-15(14)17-16(13)12-8-4-3-5-9-12/h3-8,11-14H,2,9-10H2,1H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole?
2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole has a molecular weight of 225.34 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-3-ethyl-3a,4-dihydro-3H-indole is sourced from PubChem (CID 142893753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).