3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one

C16H14N2O2 — CID 90708413

IUPAC3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1O
InChIInChI=1S/C16H14N2O2/c1-10-6-7-11(8-15(10)19)17-9-13-12-4-2-3-5-14(12)18-16(13)20/h2-9,13,19H,1H3,(H,18,20)/b17-9+
InChIKeyICMTXKDQCMWLHW-RQZCQDPDSA-N
MW266.30 g/mol
LogP3.14
Rot. Bonds2

About 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one

3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 90708413) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
PubChem CID90708413
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1O
InChIInChI=1S/C16H14N2O2/c1-10-6-7-11(8-15(10)19)17-9-13-12-4-2-3-5-14(12)18-16(13)20/h2-9,13,19H,1H3,(H,18,20)/b17-9+
InChIKeyICMTXKDQCMWLHW-RQZCQDPDSA-N
XLogP3.14
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.14
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-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one (CID 90708413) is 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one is Cc1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1O.
What is the InChIKey of 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is ICMTXKDQCMWLHW-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-6-7-11(8-15(10)19)17-9-13-12-4-2-3-5-14(12)18-16(13)20/h2-9,13,19H,1H3,(H,18,20)/b17-9+.
What are the key properties of 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 266.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 90708413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).