5-(hydroxymethyl)-1,3-dihydroindol-2-one

C9H9NO2 — CID 59751036

IUPAC5-(hydroxymethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CO)ccc2N1
InChIInChI=1S/C9H9NO2/c11-5-6-1-2-8-7(3-6)4-9(12)10-8/h1-3,11H,4-5H2,(H,10,12)
InChIKeyKFEKDTIWYDGPPQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.67
Rot. Bonds1

About 5-(hydroxymethyl)-1,3-dihydroindol-2-one

5-(hydroxymethyl)-1,3-dihydroindol-2-one (PubChem CID 59751036) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1,3-dihydroindol-2-one
PubChem CID59751036
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name5-(hydroxymethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CO)ccc2N1
InChIInChI=1S/C9H9NO2/c11-5-6-1-2-8-7(3-6)4-9(12)10-8/h1-3,11H,4-5H2,(H,10,12)
InChIKeyKFEKDTIWYDGPPQ-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(hydroxymethyl)-1,3-dihydroindol-2-one (CID 59751036) is 5-(hydroxymethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(hydroxymethyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(CO)ccc2N1.
What is the InChIKey of 5-(hydroxymethyl)-1,3-dihydroindol-2-one?
The InChIKey is KFEKDTIWYDGPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-5-6-1-2-8-7(3-6)4-9(12)10-8/h1-3,11H,4-5H2,(H,10,12).
What are the key properties of 5-(hydroxymethyl)-1,3-dihydroindol-2-one?
5-(hydroxymethyl)-1,3-dihydroindol-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 59751036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).