2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one

C11H12N2O2 — CID 51576390

IUPAC2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one
SMILESO=C1c2ccccc2NC1/C=N/CCO
InChIInChI=1S/C11H12N2O2/c14-6-5-12-7-10-11(15)8-3-1-2-4-9(8)13-10/h1-4,7,10,13-14H,5-6H2/b12-7+
InChIKeyKYRBIPFQNGQOQB-KPKJPENVSA-N
MW204.23 g/mol
LogP0.73
Rot. Bonds3

About 2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one

2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one (PubChem CID 51576390) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one
PubChem CID51576390
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one
SMILESO=C1c2ccccc2NC1/C=N/CCO
InChIInChI=1S/C11H12N2O2/c14-6-5-12-7-10-11(15)8-3-1-2-4-9(8)13-10/h1-4,7,10,13-14H,5-6H2/b12-7+
InChIKeyKYRBIPFQNGQOQB-KPKJPENVSA-N
XLogP0.73
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one?
The IUPAC name of 2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one (CID 51576390) is 2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one.
What is the SMILES notation for 2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one?
The canonical SMILES for 2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one is O=C1c2ccccc2NC1/C=N/CCO.
What is the InChIKey of 2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one?
The InChIKey is KYRBIPFQNGQOQB-KPKJPENVSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-6-5-12-7-10-11(15)8-3-1-2-4-9(8)13-10/h1-4,7,10,13-14H,5-6H2/b12-7+.
What are the key properties of 2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one?
2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one has a molecular weight of 204.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one is sourced from PubChem (CID 51576390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).