2-ethyl-3aH-indene

C11H12 — CID 23399067

IUPAC2-ethyl-3aH-indene
SMILESCCC1=CC2C=CC=CC2=C1
InChIInChI=1S/C11H12/c1-2-9-7-10-5-3-4-6-11(10)8-9/h3-8,10H,2H2,1H3
InChIKeyOGIGWXKPJBRCLD-UHFFFAOYSA-N
MW144.22 g/mol
LogP3.01
Rot. Bonds1

About 2-ethyl-3aH-indene

2-ethyl-3aH-indene (PubChem CID 23399067) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-ethyl-3aH-indene.

Molecular Properties

Compound Name2-ethyl-3aH-indene
PubChem CID23399067
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name2-ethyl-3aH-indene
SMILESCCC1=CC2C=CC=CC2=C1
InChIInChI=1S/C11H12/c1-2-9-7-10-5-3-4-6-11(10)8-9/h3-8,10H,2H2,1H3
InChIKeyOGIGWXKPJBRCLD-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3-phenylprop-2-enyl)-3aH-indene
CID 154422820
3-(3aH-inden-2-ylmethyl)-1H-pyrrole
CID 140974375
ethyl 3aH-indene-2-carboxylate
CID 43811245
2-[2-(3aH-inden-2-yl)ethyl]-5H-indene
CID 176529830
2-[2-(3aH-inden-2-yl)ethyl]-1H-indene
CID 173243357
2-(3aH-inden-2-yl)pyridine;ethane
CID 91435728
cyclopenta-2,4-dien-1-yl-(3-ethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 101180935
2-(2-methylsulfanylphenyl)-3aH-indene
CID 155004155
2-methyl-5aH-benzo[g]quinazolin-4-one
CID 76845217
bis(3-ethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 139667907
1,3-diethylcyclobuta-1,3-diene
CID 21364081
2-ethyl-5-(2-methylpropyl)cyclopenta-1,3-diene
CID 159430648

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3aH-indene?
The IUPAC name of 2-ethyl-3aH-indene (CID 23399067) is 2-ethyl-3aH-indene.
What is the SMILES notation for 2-ethyl-3aH-indene?
The canonical SMILES for 2-ethyl-3aH-indene is CCC1=CC2C=CC=CC2=C1.
What is the InChIKey of 2-ethyl-3aH-indene?
The InChIKey is OGIGWXKPJBRCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-2-9-7-10-5-3-4-6-11(10)8-9/h3-8,10H,2H2,1H3.
What are the key properties of 2-ethyl-3aH-indene?
2-ethyl-3aH-indene has a molecular weight of 144.22 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3aH-indene is sourced from PubChem (CID 23399067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).