1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone

C12H14O — CID 13406383

IUPAC1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone
SMILESCC(=O)c1c(C)ccc2c1CCC2
InChIInChI=1S/C12H14O/c1-8-6-7-10-4-3-5-11(10)12(8)9(2)13/h6-7H,3-5H2,1-2H3
InChIKeySFWQOKOYOLTKTE-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.69
Rot. Bonds1

About 1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone

1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone (PubChem CID 13406383) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone
PubChem CID13406383
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone
SMILESCC(=O)c1c(C)ccc2c1CCC2
InChIInChI=1S/C12H14O/c1-8-6-7-10-4-3-5-11(10)12(8)9(2)13/h6-7H,3-5H2,1-2H3
InChIKeySFWQOKOYOLTKTE-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone?
The IUPAC name of 1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone (CID 13406383) is 1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone is CC(=O)c1c(C)ccc2c1CCC2.
What is the InChIKey of 1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone?
The InChIKey is SFWQOKOYOLTKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-8-6-7-10-4-3-5-11(10)12(8)9(2)13/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone?
1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone has a molecular weight of 174.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone is sourced from PubChem (CID 13406383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).