5,6-diethyl-2,3-dihydroinden-1-one

C13H16O — CID 22238300

IUPAC5,6-diethyl-2,3-dihydroinden-1-one
SMILESCCc1cc2c(cc1CC)C(=O)CC2
InChIInChI=1S/C13H16O/c1-3-9-7-11-5-6-13(14)12(11)8-10(9)4-2/h7-8H,3-6H2,1-2H3
InChIKeyIBNBOWHDRVHHRZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.94
Rot. Bonds2

About 5,6-diethyl-2,3-dihydroinden-1-one

5,6-diethyl-2,3-dihydroinden-1-one (PubChem CID 22238300) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 5,6-diethyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5,6-diethyl-2,3-dihydroinden-1-one
PubChem CID22238300
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name5,6-diethyl-2,3-dihydroinden-1-one
SMILESCCc1cc2c(cc1CC)C(=O)CC2
InChIInChI=1S/C13H16O/c1-3-9-7-11-5-6-13(14)12(11)8-10(9)4-2/h7-8H,3-6H2,1-2H3
InChIKeyIBNBOWHDRVHHRZ-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-2,3-dihydroinden-1-one?
The IUPAC name of 5,6-diethyl-2,3-dihydroinden-1-one (CID 22238300) is 5,6-diethyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5,6-diethyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5,6-diethyl-2,3-dihydroinden-1-one is CCc1cc2c(cc1CC)C(=O)CC2.
What is the InChIKey of 5,6-diethyl-2,3-dihydroinden-1-one?
The InChIKey is IBNBOWHDRVHHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-3-9-7-11-5-6-13(14)12(11)8-10(9)4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 5,6-diethyl-2,3-dihydroinden-1-one?
5,6-diethyl-2,3-dihydroinden-1-one has a molecular weight of 188.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 22238300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).