3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one

C15H12N2O2 — CID 137288254

IUPAC3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one
SMILESO=C1N/C(=N\c2ccccc2CO)c2ccccc21
InChIInChI=1S/C15H12N2O2/c18-9-10-5-1-4-8-13(10)16-14-11-6-2-3-7-12(11)15(19)17-14/h1-8,18H,9H2,(H,16,17,19)
InChIKeyWCJFRBFTBDJFSP-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.00
Rot. Bonds2

About 3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one

3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one (PubChem CID 137288254) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one
PubChem CID137288254
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one
SMILESO=C1N/C(=N\c2ccccc2CO)c2ccccc21
InChIInChI=1S/C15H12N2O2/c18-9-10-5-1-4-8-13(10)16-14-11-6-2-3-7-12(11)15(19)17-14/h1-8,18H,9H2,(H,16,17,19)
InChIKeyWCJFRBFTBDJFSP-UHFFFAOYSA-N
XLogP2.00
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.00
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-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one?
The IUPAC name of 3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one (CID 137288254) is 3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one?
The canonical SMILES for 3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one is O=C1N/C(=N\c2ccccc2CO)c2ccccc21.
What is the InChIKey of 3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one?
The InChIKey is WCJFRBFTBDJFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-9-10-5-1-4-8-13(10)16-14-11-6-2-3-7-12(11)15(19)17-14/h1-8,18H,9H2,(H,16,17,19).
What are the key properties of 3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one?
3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one has a molecular weight of 252.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one is sourced from PubChem (CID 137288254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).