3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one

C16H14N2O2 — CID 90827547

IUPAC3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1/C=N/c1cccc(CO)c1
InChIInChI=1S/C16H14N2O2/c19-10-11-4-3-5-12(8-11)17-9-14-13-6-1-2-7-15(13)18-16(14)20/h1-9,14,19H,10H2,(H,18,20)/b17-9+
InChIKeyRVWCFPXLESBMRD-RQZCQDPDSA-N
MW266.30 g/mol
LogP2.62
Rot. Bonds3

About 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one

3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 90827547) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID90827547
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1/C=N/c1cccc(CO)c1
InChIInChI=1S/C16H14N2O2/c19-10-11-4-3-5-12(8-11)17-9-14-13-6-1-2-7-15(13)18-16(14)20/h1-9,14,19H,10H2,(H,18,20)/b17-9+
InChIKeyRVWCFPXLESBMRD-RQZCQDPDSA-N
XLogP2.62
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 90827547) is 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1/C=N/c1cccc(CO)c1.
What is the InChIKey of 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is RVWCFPXLESBMRD-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-10-11-4-3-5-12(8-11)17-9-14-13-6-1-2-7-15(13)18-16(14)20/h1-9,14,19H,10H2,(H,18,20)/b17-9+.
What are the key properties of 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 90827547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).