3-ethenyl-6-ethyl-1H-indene

C13H14 — CID 143036061

IUPAC3-ethenyl-6-ethyl-1H-indene
SMILESC=CC1=CCc2cc(CC)ccc21
InChIInChI=1S/C13H14/c1-3-10-5-8-13-11(4-2)6-7-12(13)9-10/h4-6,8-9H,2-3,7H2,1H3
InChIKeyUAVTXCKBMGGYDQ-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.37
Rot. Bonds2

About 3-ethenyl-6-ethyl-1H-indene

3-ethenyl-6-ethyl-1H-indene (PubChem CID 143036061) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-ethenyl-6-ethyl-1H-indene.

Molecular Properties

Compound Name3-ethenyl-6-ethyl-1H-indene
PubChem CID143036061
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name3-ethenyl-6-ethyl-1H-indene
SMILESC=CC1=CCc2cc(CC)ccc21
InChIInChI=1S/C13H14/c1-3-10-5-8-13-11(4-2)6-7-12(13)9-10/h4-6,8-9H,2-3,7H2,1H3
InChIKeyUAVTXCKBMGGYDQ-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-ethyl-1H-indene?
The IUPAC name of 3-ethenyl-6-ethyl-1H-indene (CID 143036061) is 3-ethenyl-6-ethyl-1H-indene.
What is the SMILES notation for 3-ethenyl-6-ethyl-1H-indene?
The canonical SMILES for 3-ethenyl-6-ethyl-1H-indene is C=CC1=CCc2cc(CC)ccc21.
What is the InChIKey of 3-ethenyl-6-ethyl-1H-indene?
The InChIKey is UAVTXCKBMGGYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-3-10-5-8-13-11(4-2)6-7-12(13)9-10/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of 3-ethenyl-6-ethyl-1H-indene?
3-ethenyl-6-ethyl-1H-indene has a molecular weight of 170.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-ethyl-1H-indene is sourced from PubChem (CID 143036061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).