indol-2-one;hydrate

C8H7NO2 — CID 90093449

IUPACindol-2-one;hydrate
SMILESO.O=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO.H2O/c10-8-5-6-3-1-2-4-7(6)9-8;/h1-5H;1H2
InChIKeyLJOOKYFKAFGXRZ-UHFFFAOYSA-N
MW149.15 g/mol
LogP-1.20
Rot. Bonds

About indol-2-one;hydrate

indol-2-one;hydrate (PubChem CID 90093449) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is indol-2-one;hydrate.

Molecular Properties

Compound Nameindol-2-one;hydrate
PubChem CID90093449
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Nameindol-2-one;hydrate
SMILESO.O=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO.H2O/c10-8-5-6-3-1-2-4-7(6)9-8;/h1-5H;1H2
InChIKeyLJOOKYFKAFGXRZ-UHFFFAOYSA-N
XLogP-1.20
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-1.20
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?
The IUPAC name of indol-2-one;hydrate (CID 90093449) is indol-2-one;hydrate.
What is the SMILES notation for indol-2-one;hydrate?
The canonical SMILES for indol-2-one;hydrate is O.O=C1C=c2ccccc2=N1.
What is the InChIKey of indol-2-one;hydrate?
The InChIKey is LJOOKYFKAFGXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO.H2O/c10-8-5-6-3-1-2-4-7(6)9-8;/h1-5H;1H2.
What are the key properties of indol-2-one;hydrate?
indol-2-one;hydrate has a molecular weight of 149.15 g/mol, XLogP of -1.20, 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 is sourced from PubChem (CID 90093449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).