1-(1,3-dimethylinden-1-yl)ethanone

C13H14O — CID 12609224

IUPAC1-(1,3-dimethylinden-1-yl)ethanone
SMILESCC(=O)C1(C)C=C(C)c2ccccc21
InChIInChI=1S/C13H14O/c1-9-8-13(3,10(2)14)12-7-5-4-6-11(9)12/h4-8H,1-3H3
InChIKeyRTSAXMUBQMWVTR-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.95
Rot. Bonds1

About 1-(1,3-dimethylinden-1-yl)ethanone

1-(1,3-dimethylinden-1-yl)ethanone (PubChem CID 12609224) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(1,3-dimethylinden-1-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-dimethylinden-1-yl)ethanone
PubChem CID12609224
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name1-(1,3-dimethylinden-1-yl)ethanone
SMILESCC(=O)C1(C)C=C(C)c2ccccc21
InChIInChI=1S/C13H14O/c1-9-8-13(3,10(2)14)12-7-5-4-6-11(9)12/h4-8H,1-3H3
InChIKeyRTSAXMUBQMWVTR-UHFFFAOYSA-N
XLogP2.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylinden-1-yl)ethanone?
The IUPAC name of 1-(1,3-dimethylinden-1-yl)ethanone (CID 12609224) is 1-(1,3-dimethylinden-1-yl)ethanone.
What is the SMILES notation for 1-(1,3-dimethylinden-1-yl)ethanone?
The canonical SMILES for 1-(1,3-dimethylinden-1-yl)ethanone is CC(=O)C1(C)C=C(C)c2ccccc21.
What is the InChIKey of 1-(1,3-dimethylinden-1-yl)ethanone?
The InChIKey is RTSAXMUBQMWVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-9-8-13(3,10(2)14)12-7-5-4-6-11(9)12/h4-8H,1-3H3.
What are the key properties of 1-(1,3-dimethylinden-1-yl)ethanone?
1-(1,3-dimethylinden-1-yl)ethanone has a molecular weight of 186.25 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylinden-1-yl)ethanone is sourced from PubChem (CID 12609224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).