indol-2-one;dihydrochloride

C8H7Cl2NO — CID 19092164

IUPACindol-2-one;dihydrochloride
SMILESCl.Cl.O=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO.2ClH/c10-8-5-6-3-1-2-4-7(6)9-8;;/h1-5H;2*1H
InChIKeyJXDPUUHPXBLTDY-UHFFFAOYSA-N
MW204.06 g/mol
LogP0.47
Rot. Bonds

About indol-2-one;dihydrochloride

indol-2-one;dihydrochloride (PubChem CID 19092164) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is indol-2-one;dihydrochloride.

Molecular Properties

Compound Nameindol-2-one;dihydrochloride
PubChem CID19092164
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Nameindol-2-one;dihydrochloride
SMILESCl.Cl.O=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO.2ClH/c10-8-5-6-3-1-2-4-7(6)9-8;;/h1-5H;2*1H
InChIKeyJXDPUUHPXBLTDY-UHFFFAOYSA-N
XLogP0.47
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of indol-2-one;dihydrochloride?
The IUPAC name of indol-2-one;dihydrochloride (CID 19092164) is indol-2-one;dihydrochloride.
What is the SMILES notation for indol-2-one;dihydrochloride?
The canonical SMILES for indol-2-one;dihydrochloride is Cl.Cl.O=C1C=c2ccccc2=N1.
What is the InChIKey of indol-2-one;dihydrochloride?
The InChIKey is JXDPUUHPXBLTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO.2ClH/c10-8-5-6-3-1-2-4-7(6)9-8;;/h1-5H;2*1H.
What are the key properties of indol-2-one;dihydrochloride?
indol-2-one;dihydrochloride has a molecular weight of 204.06 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for indol-2-one;dihydrochloride is sourced from PubChem (CID 19092164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).