indol-2-one;hydrochloride

C8H6ClNO — CID 19438941

IUPACindol-2-one;hydrochloride
SMILESCl.O=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO.ClH/c10-8-5-6-3-1-2-4-7(6)9-8;/h1-5H;1H
InChIKeyRLLSURDGWWYSMV-UHFFFAOYSA-N
MW167.59 g/mol
LogP0.05
Rot. Bonds

About indol-2-one;hydrochloride

indol-2-one;hydrochloride (PubChem CID 19438941) has the molecular formula C8H6ClNO and a molecular weight of 167.59 g/mol. Its IUPAC name is indol-2-one;hydrochloride.

Molecular Properties

Compound Nameindol-2-one;hydrochloride
PubChem CID19438941
Molecular FormulaC8H6ClNO
Molecular Weight167.59 g/mol
Exact Mass167.01
IUPAC Nameindol-2-one;hydrochloride
SMILESCl.O=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO.ClH/c10-8-5-6-3-1-2-4-7(6)9-8;/h1-5H;1H
InChIKeyRLLSURDGWWYSMV-UHFFFAOYSA-N
XLogP0.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of indol-2-one;hydrochloride?
The IUPAC name of indol-2-one;hydrochloride (CID 19438941) is indol-2-one;hydrochloride.
What is the SMILES notation for indol-2-one;hydrochloride?
The canonical SMILES for indol-2-one;hydrochloride is Cl.O=C1C=c2ccccc2=N1.
What is the InChIKey of indol-2-one;hydrochloride?
The InChIKey is RLLSURDGWWYSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO.ClH/c10-8-5-6-3-1-2-4-7(6)9-8;/h1-5H;1H.
What are the key properties of indol-2-one;hydrochloride?
indol-2-one;hydrochloride has a molecular weight of 167.59 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for indol-2-one;hydrochloride is sourced from PubChem (CID 19438941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).