3-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one

C17H16N2O2 — CID 90791604

IUPAC3-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1C(/C=N/c1ccc(CO)cc1)C(=O)N2
InChIInChI=1S/C17H16N2O2/c1-11-3-2-4-15-16(11)14(17(21)19-15)9-18-13-7-5-12(10-20)6-8-13/h2-9,14,20H,10H2,1H3,(H,19,21)/b18-9+
InChIKeyCZSBPVDHKNMUMC-GIJQJNRQSA-N
MW280.33 g/mol
LogP2.93
Rot. Bonds3

About 3-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one

3-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one (PubChem CID 90791604) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
PubChem CID90791604
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1C(/C=N/c1ccc(CO)cc1)C(=O)N2
InChIInChI=1S/C17H16N2O2/c1-11-3-2-4-15-16(11)14(17(21)19-15)9-18-13-7-5-12(10-20)6-8-13/h2-9,14,20H,10H2,1H3,(H,19,21)/b18-9+
InChIKeyCZSBPVDHKNMUMC-GIJQJNRQSA-N
XLogP2.93
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.93
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-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one (CID 90791604) is 3-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one is Cc1cccc2c1C(/C=N/c1ccc(CO)cc1)C(=O)N2.
What is the InChIKey of 3-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
The InChIKey is CZSBPVDHKNMUMC-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-3-2-4-15-16(11)14(17(21)19-15)9-18-13-7-5-12(10-20)6-8-13/h2-9,14,20H,10H2,1H3,(H,19,21)/b18-9+.
What are the key properties of 3-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
3-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(hydroxymethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 90791604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).