1,2-diethyl-1H-indene

C13H16 — CID 54262428

IUPAC1,2-diethyl-1H-indene
SMILESCCC1=Cc2ccccc2C1CC
InChIInChI=1S/C13H16/c1-3-10-9-11-7-5-6-8-13(11)12(10)4-2/h5-9,12H,3-4H2,1-2H3
InChIKeyWIOQOIHRSCDJIQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.99
Rot. Bonds2

About 1,2-diethyl-1H-indene

1,2-diethyl-1H-indene (PubChem CID 54262428) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,2-diethyl-1H-indene.

Molecular Properties

Compound Name1,2-diethyl-1H-indene
PubChem CID54262428
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1,2-diethyl-1H-indene
SMILESCCC1=Cc2ccccc2C1CC
InChIInChI=1S/C13H16/c1-3-10-9-11-7-5-6-8-13(11)12(10)4-2/h5-9,12H,3-4H2,1-2H3
InChIKeyWIOQOIHRSCDJIQ-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-diethyl-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-1H-indene?
The IUPAC name of 1,2-diethyl-1H-indene (CID 54262428) is 1,2-diethyl-1H-indene.
What is the SMILES notation for 1,2-diethyl-1H-indene?
The canonical SMILES for 1,2-diethyl-1H-indene is CCC1=Cc2ccccc2C1CC.
What is the InChIKey of 1,2-diethyl-1H-indene?
The InChIKey is WIOQOIHRSCDJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-3-10-9-11-7-5-6-8-13(11)12(10)4-2/h5-9,12H,3-4H2,1-2H3.
What are the key properties of 1,2-diethyl-1H-indene?
1,2-diethyl-1H-indene has a molecular weight of 172.27 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-1H-indene is sourced from PubChem (CID 54262428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).