indol-2-one;hydrate;hydrochloride

C8H8ClNO2 — CID 143058206

IUPACindol-2-one;hydrate;hydrochloride
SMILESCl.O.O=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO.ClH.H2O/c10-8-5-6-3-1-2-4-7(6)9-8;;/h1-5H;1H;1H2
InChIKeyOTGKDYAZMDVLSK-UHFFFAOYSA-N
MW185.61 g/mol
LogP-0.78
Rot. Bonds

About indol-2-one;hydrate;hydrochloride

indol-2-one;hydrate;hydrochloride (PubChem CID 143058206) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is indol-2-one;hydrate;hydrochloride.

Molecular Properties

Compound Nameindol-2-one;hydrate;hydrochloride
PubChem CID143058206
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Nameindol-2-one;hydrate;hydrochloride
SMILESCl.O.O=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO.ClH.H2O/c10-8-5-6-3-1-2-4-7(6)9-8;;/h1-5H;1H;1H2
InChIKeyOTGKDYAZMDVLSK-UHFFFAOYSA-N
XLogP-0.78
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of indol-2-one;hydrate;hydrochloride?
The IUPAC name of indol-2-one;hydrate;hydrochloride (CID 143058206) is indol-2-one;hydrate;hydrochloride.
What is the SMILES notation for indol-2-one;hydrate;hydrochloride?
The canonical SMILES for indol-2-one;hydrate;hydrochloride is Cl.O.O=C1C=c2ccccc2=N1.
What is the InChIKey of indol-2-one;hydrate;hydrochloride?
The InChIKey is OTGKDYAZMDVLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO.ClH.H2O/c10-8-5-6-3-1-2-4-7(6)9-8;;/h1-5H;1H;1H2.
What are the key properties of indol-2-one;hydrate;hydrochloride?
indol-2-one;hydrate;hydrochloride has a molecular weight of 185.61 g/mol, XLogP of -0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for indol-2-one;hydrate;hydrochloride is sourced from PubChem (CID 143058206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).