1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone

C12H14O — CID 58928828

IUPAC1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCC(=O)c1cc2c(cc1C)CCC2
InChIInChI=1S/C12H14O/c1-8-6-10-4-3-5-11(10)7-12(8)9(2)13/h6-7H,3-5H2,1-2H3
InChIKeyFPIQXFRZLKZBCK-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.69
Rot. Bonds1

About 1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone

1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 58928828) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID58928828
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCC(=O)c1cc2c(cc1C)CCC2
InChIInChI=1S/C12H14O/c1-8-6-10-4-3-5-11(10)7-12(8)9(2)13/h6-7H,3-5H2,1-2H3
InChIKeyFPIQXFRZLKZBCK-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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Related Compounds

1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 83988269
1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 165345844
1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone
CID 84689437
1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone
CID 101125511
6-acetyl-7-bromo-3,4-dihydro-2H-naphthalen-1-one
CID 118423588
7-acetyl-2,3-dihydro-1H-indene-5-sulfonic acid
CID 22003063
1-(5-hydroxy-2,4-dimethylphenyl)ethanone
CID 119014480
1-(4-chloro-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethanone
CID 84700903
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone
CID 13406383
1-(4,5-diethyl-2-methylphenyl)ethanone
CID 18705096
1-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]ethanone
CID 59625193

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone (CID 58928828) is 1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone is CC(=O)c1cc2c(cc1C)CCC2.
What is the InChIKey of 1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is FPIQXFRZLKZBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-8-6-10-4-3-5-11(10)7-12(8)9(2)13/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone?
1-(6-methyl-2,3-dihydro-1H-inden-5-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-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 58928828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).