1-(3H-inden-5-yl)ethanone;hydrochloride

C11H11ClO — CID 68526957

IUPAC1-(3H-inden-5-yl)ethanone;hydrochloride
SMILESCC(=O)c1ccc2c(c1)CC=C2.Cl
InChIInChI=1S/C11H10O.ClH/c1-8(12)10-6-5-9-3-2-4-11(9)7-10;/h2-3,5-7H,4H2,1H3;1H
InChIKeyPHESYYUZLRMLAF-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.88
Rot. Bonds1

About 1-(3H-inden-5-yl)ethanone;hydrochloride

1-(3H-inden-5-yl)ethanone;hydrochloride (PubChem CID 68526957) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 1-(3H-inden-5-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3H-inden-5-yl)ethanone;hydrochloride
PubChem CID68526957
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name1-(3H-inden-5-yl)ethanone;hydrochloride
SMILESCC(=O)c1ccc2c(c1)CC=C2.Cl
InChIInChI=1S/C11H10O.ClH/c1-8(12)10-6-5-9-3-2-4-11(9)7-10;/h2-3,5-7H,4H2,1H3;1H
InChIKeyPHESYYUZLRMLAF-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-inden-5-yl)ethanone;hydrochloride?
The IUPAC name of 1-(3H-inden-5-yl)ethanone;hydrochloride (CID 68526957) is 1-(3H-inden-5-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(3H-inden-5-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(3H-inden-5-yl)ethanone;hydrochloride is CC(=O)c1ccc2c(c1)CC=C2.Cl.
What is the InChIKey of 1-(3H-inden-5-yl)ethanone;hydrochloride?
The InChIKey is PHESYYUZLRMLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O.ClH/c1-8(12)10-6-5-9-3-2-4-11(9)7-10;/h2-3,5-7H,4H2,1H3;1H.
What are the key properties of 1-(3H-inden-5-yl)ethanone;hydrochloride?
1-(3H-inden-5-yl)ethanone;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-inden-5-yl)ethanone;hydrochloride is sourced from PubChem (CID 68526957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).