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

C10H11NO2 — CID 47002707

IUPAC5-(1-hydroxyethyl)-1,3-dihydroindol-2-one
SMILESCC(O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C10H11NO2/c1-6(12)7-2-3-9-8(4-7)5-10(13)11-9/h2-4,6,12H,5H2,1H3,(H,11,13)
InChIKeyNLGRBBXVQWRUMU-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.23
Rot. Bonds1

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

5-(1-hydroxyethyl)-1,3-dihydroindol-2-one (PubChem CID 47002707) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-1,3-dihydroindol-2-one
PubChem CID47002707
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-(1-hydroxyethyl)-1,3-dihydroindol-2-one
SMILESCC(O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C10H11NO2/c1-6(12)7-2-3-9-8(4-7)5-10(13)11-9/h2-4,6,12H,5H2,1H3,(H,11,13)
InChIKeyNLGRBBXVQWRUMU-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-hydroxyethyl)-1,3-dihydroindol-2-one (CID 47002707) is 5-(1-hydroxyethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-hydroxyethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-hydroxyethyl)-1,3-dihydroindol-2-one is CC(O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(1-hydroxyethyl)-1,3-dihydroindol-2-one?
The InChIKey is NLGRBBXVQWRUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6(12)7-2-3-9-8(4-7)5-10(13)11-9/h2-4,6,12H,5H2,1H3,(H,11,13).
What are the key properties of 5-(1-hydroxyethyl)-1,3-dihydroindol-2-one?
5-(1-hydroxyethyl)-1,3-dihydroindol-2-one has a molecular weight of 177.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 47002707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).