3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one

C11H16O — CID 130030063

IUPAC3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one
SMILESCCC1CC(=O)C2=C1CCCC2
InChIInChI=1S/C11H16O/c1-2-8-7-11(12)10-6-4-3-5-9(8)10/h8H,2-7H2,1H3
InChIKeyDGNDUHLQVNUWDR-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.86
Rot. Bonds1

About 3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one

3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one (PubChem CID 130030063) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one.

Molecular Properties

Compound Name3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one
PubChem CID130030063
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one
SMILESCCC1CC(=O)C2=C1CCCC2
InChIInChI=1S/C11H16O/c1-2-8-7-11(12)10-6-4-3-5-9(8)10/h8H,2-7H2,1H3
InChIKeyDGNDUHLQVNUWDR-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one?
The IUPAC name of 3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one (CID 130030063) is 3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one.
What is the SMILES notation for 3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one?
The canonical SMILES for 3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one is CCC1CC(=O)C2=C1CCCC2.
What is the InChIKey of 3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one?
The InChIKey is DGNDUHLQVNUWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-2-8-7-11(12)10-6-4-3-5-9(8)10/h8H,2-7H2,1H3.
What are the key properties of 3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one?
3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one has a molecular weight of 164.25 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one is sourced from PubChem (CID 130030063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).