6-hydroxy-1,6-dihydroindol-5-one

C8H7NO2 — CID 90274963

IUPAC6-hydroxy-1,6-dihydroindol-5-one
SMILESO=C1C=c2cc[nH]c2=CC1O
InChIInChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,8-9,11H
InChIKeyXRMPVYKAKJWVRX-UHFFFAOYSA-N
MW149.15 g/mol
LogP-1.48
Rot. Bonds

About 6-hydroxy-1,6-dihydroindol-5-one

6-hydroxy-1,6-dihydroindol-5-one (PubChem CID 90274963) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 6-hydroxy-1,6-dihydroindol-5-one.

Molecular Properties

Compound Name6-hydroxy-1,6-dihydroindol-5-one
PubChem CID90274963
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name6-hydroxy-1,6-dihydroindol-5-one
SMILESO=C1C=c2cc[nH]c2=CC1O
InChIInChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,8-9,11H
InChIKeyXRMPVYKAKJWVRX-UHFFFAOYSA-N
XLogP-1.48
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,6-dihydroindol-5-one?
The IUPAC name of 6-hydroxy-1,6-dihydroindol-5-one (CID 90274963) is 6-hydroxy-1,6-dihydroindol-5-one.
What is the SMILES notation for 6-hydroxy-1,6-dihydroindol-5-one?
The canonical SMILES for 6-hydroxy-1,6-dihydroindol-5-one is O=C1C=c2cc[nH]c2=CC1O.
What is the InChIKey of 6-hydroxy-1,6-dihydroindol-5-one?
The InChIKey is XRMPVYKAKJWVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,8-9,11H.
What are the key properties of 6-hydroxy-1,6-dihydroindol-5-one?
6-hydroxy-1,6-dihydroindol-5-one has a molecular weight of 149.15 g/mol, XLogP of -1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,6-dihydroindol-5-one is sourced from PubChem (CID 90274963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).